3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-benzo[f]isoindol-2-yl)propanoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-benzo[f]isoindol-2-yl)propanoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-(3-keto-1H-benz[f]isoindol-2-yl)propionic acid Formula: C24H23NO5 MolecularWeight: 405.44312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC4=CC=CC=C4C=C3C2=O)OC

InChI

InChI=1S/C24H23NO5/c1-3-30-21-9-8-17(12-22(21)29-2)20(13-23(26)27)25-14-18-10-15-6-4-5-7-16(15)11-19(18)24(25)28/h4-12,20H,3,13-14H2,1-2H3,(H,26,27)