2-[1-(3,4-dimethoxyphenyl)-3-oxidanylidene-1-(phenylmethyl)isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-3-oxidanylidene-1-(phenylmethyl)isoindol-2-yl]ethanoic acid Openeye Name: 2-[1-benzyl-1-(3,4-dimethoxyphenyl)-3-oxo-isoindolin-2-yl]acetic acid CAS Name: 2-[1-(3,4-dimethoxyphenyl)-3-oxo-1-(phenylmethyl)-2-isoindolyl]acetic acid IUPAC Name: 2-[1-benzyl-1-(3,4-dimethoxyphenyl)-3-oxoisoindol-2-yl]acetic acid Traditional Name: 2-[1-benzyl-1-(3,4-dimethoxyphenyl)-3-keto-isoindolin-2-yl]acetic acid Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C3=CC=CC=C3C(=O)N2CC(=O)O)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C3=CC=CC=C3C(=O)N2CC(=O)O)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H23NO5/c1-30-21-13-12-18(14-22(21)31-2)25(15-17-8-4-3-5-9-17)20-11-7-6-10-19(20)24(29)26(25)16-23(27)28/h3-14H,15-16H2,1-2H3,(H,27,28)