[4-[3-[(4-butoxycarbonylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[3-[(4-butoxycarbonylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[3-(4-butoxycarbonylanilino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[3-[4-[butoxy(oxo)methyl]anilino]-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(4-butoxycarbonylanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[3-(4-butoxycarbonylanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C29H26N2O5/c1-3-4-17-35-28(33)22-11-13-25(14-12-22)31-27(32)24(19-30)18-21-7-15-26(16-8-21)36-29(34)23-9-5-20(2)6-10-23/h5-16,18H,3-4,17H2,1-2H3,(H,31,32)