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

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic 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] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C29H28N2O3/c1-2-3-19-31-28(32)25(21-30)20-23-14-17-26(18-15-23)34-29(33)27-12-8-7-11-24(27)16-13-22-9-5-4-6-10-22/h4-12,14-15,17-18,20H,2-3,13,16,19H2,1H3,(H,31,32)/b25-20+