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

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-phenylpropanoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C23H24N2O3/c1-2-3-15-25-23(27)20(17-24)16-19-9-12-21(13-10-19)28-22(26)14-11-18-7-5-4-6-8-18/h4-10,12-13,16H,2-3,11,14-15H2,1H3,(H,25,27)/b20-16+