[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-triethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-triethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC(C)C)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC(C)C)OC

InChI

InChI=1S/C27H32N2O7/c1-7-33-23-14-19(15-24(34-8-2)25(23)35-9-3)27(31)36-21-11-10-18(13-22(21)32-6)12-20(16-28)26(30)29-17(4)5/h10-15,17H,7-9H2,1-6H3,(H,29,30)/b20-12+