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propan-2-yl,(E)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-en

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摘 要: propan-2-yl,(E)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoate,Canonical SMILES: CC(C)OC(=O)C(=CC1=CC=CC=C1)NC(=O)C=CC2=CC=CC=C2,Isomeric SMILES: CC(C)OC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)\C=C/C2=CC=CC=C2,InChI: InChI=1/C21H21NO3/c1-16(2)25-21(
[Synonyms]

[Structure]
 propan-2-yl,(E)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-en

[ Properties Computed from Structure]
Molecular Weight335.39634 [g/mol]
Molecular FormulaC21H21NO3
XLogP4.7
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count2
Exact Mass335.152144
MonoIsotopic Mass335.152144
Topological Polar Surface Area55.4
Heavy Atom Count25
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count2
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: propan-2-yl
(E)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoate
Canonical SMILES: CC(C)OC(=O)C(=CC1=CC=CC=C1)NC(=O)C=CC2=CC=CC=C2
Isomeric SMILES: CC(C)OC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)\C=C/C2=CC=CC=C2
InChI: InChI=1/C21H21NO3/c1-16(2)25-21(24)19(15-18-11-7-4-8-12-18)22-20(23)14-
13-17-9-5-3-6-10-17/h3-16H,1-2H3,(H,22,23)/b14-13-,19-15+/f/h22H

 
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