IUPAC Name: methyl,2-[5-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxopr

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	386.40002 [g/mol]
Molecular Formula	C23H18N2O4
XLogP	4.9
H-Bond Donor	1
H-Bond Acceptor	5
Rotatable Bond Count	6
Tautomer Count	2
Exact Mass	386.126657
MonoIsotopic Mass	386.126657
Topological Polar Surface Area	92.3
Heavy Atom Count	29
Formal Charge	0
Complexity	672
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: methyl
2-[5-[(Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-enyl]furan-2-yl]
benzoate
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C#N
Isomeric SMILES: CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC=CC=C3C(=O)OC)/C#N
InChI: InChI=1/C23H18N2O4/c1-15-7-9-17(10-8-15)25-22(26)16(14-24)13-18-11-12-21
(29-18)19-5-3-4-6-20(19)23(27)28-2/h3-13H,1-2H3,(H,25,26)/b16-13-/f/h25H