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

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-phenylpropanoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-3-4-14-26-24(28)20(17-25)15-19-10-12-21(22(16-19)29-2)30-23(27)13-11-18-8-6-5-7-9-18/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3,(H,26,28)/b20-15+