[4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylbenzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C27H24N2O3/c1-2-3-17-29-26(30)24(19-28)18-20-9-15-25(16-10-20)32-27(31)23-13-11-22(12-14-23)21-7-5-4-6-8-21/h4-16,18H,2-3,17H2,1H3,(H,29,30)/b24-18+