[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxy-3-methoxy-phenyl)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: 3-(4-ethoxy-3-methoxyphenyl)propanoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 3-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)propionic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-6-33-21-10-7-18(14-23(21)31-4)9-12-25(29)34-22-11-8-19(15-24(22)32-5)13-20(16-27)26(30)28-17(2)3/h7-8,10-11,13-15,17H,6,9,12H2,1-5H3,(H,28,30)/b20-13+