3-methoxy-4-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethoxy]benzoic acid

Systemtic Name: 3-methoxy-4-[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethoxy]benzoic acid Openeye Name: 3-methoxy-4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethoxy]benzoic acid CAS Name: 3-methoxy-4-[(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethoxy]benzoic acid IUPAC Name: 3-methoxy-4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy]benzoic acid Traditional Name: 4-[(1S)-2-keto-1-phenyl-2-pyrrolidino-ethoxy]-3-methoxy-benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H21NO5/c1-25-17-13-15(20(23)24)9-10-16(17)26-18(14-7-3-2-4-8-14)19(22)21-11-5-6-12-21/h2-4,7-10,13,18H,5-6,11-12H2,1H3,(H,23,24)/t18-/m0/s1