2-methoxy-3-[5-oxidanylidene-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]benzoic acid

Systemtic Name: 2-methoxy-3-[5-oxidanylidene-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 3-[1-(4-benzyloxyphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-3-[5-oxo-1-(4-phenylmethoxyphenyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 2-methoxy-3-[5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]benzoic acid Traditional Name: 3-[1-(4-benzoxyphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23NO5/c1-30-24-21(8-5-9-22(24)25(28)29)18-14-23(27)26(15-18)19-10-12-20(13-11-19)31-16-17-6-3-2-4-7-17/h2-13,18H,14-16H2,1H3,(H,28,29)