[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxyphenyl)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxyphenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxyphenyl)propanoate CAS Name: 3-(4-ethoxyphenyl)propanoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-(4-ethoxyphenyl)propanoate Traditional Name: 3-p-phenetylpropionic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCOC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCOC)OC

InChI

InChI=1S/C25H28N2O6/c1-4-32-21-9-5-18(6-10-21)8-12-24(28)33-22-11-7-19(16-23(22)31-3)15-20(17-26)25(29)27-13-14-30-2/h5-7,9-11,15-16H,4,8,12-14H2,1-3H3,(H,27,29)/b20-15+