[4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C26H24N2O7 MolecularWeight: 476.47796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C26H24N2O7/c1-33-22-15-17(14-18(16-27)26(32)34-2)11-12-21(22)35-23(29)10-4-3-7-13-28-24(30)19-8-5-6-9-20(19)25(28)31/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3