[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C28H21N3O4/c1-34-26-16-22(15-23(17-29)27(32)31-19-21-10-6-3-7-11-21)12-13-25(26)35-28(33)24(18-30)14-20-8-4-2-5-9-20/h2-16H,19H2,1H3,(H,31,32)/b23-15+,24-14+