3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-(3-keto-1H-benz[f]isoindol-2-yl)propionic acid Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC

InChI

InChI=1S/C23H21NO5/c1-28-20-8-7-16(11-21(20)29-2)19(12-22(25)26)24-13-17-9-14-5-3-4-6-15(14)10-18(17)23(24)27/h3-11,19H,12-13H2,1-2H3,(H,25,26)