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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(1-phenylethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5/c1-18(20-7-5-4-6-8-20)29-26(30)22(17-28)15-19-9-14-24(25(16-19)33-3)34-27(31)21-10-12-23(32-2)13-11-21/h4-16,18H,1-3H3,(H,29,30)/b22-15+