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

Systemtic Name: 2-methoxy-3-[5-oxidanylidene-1-(4-prop-2-enoxyphenyl)pyrrolidin-3-yl]benzoic acid Openeye Name: 3-[1-(4-allyloxyphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-3-[5-oxo-1-(4-prop-2-enoxyphenyl)-3-pyrrolidinyl]benzoic acid IUPAC Name: 2-methoxy-3-[5-oxo-1-(4-prop-2-enoxyphenyl)pyrrolidin-3-yl]benzoic acid Traditional Name: 3-[1-(4-allyloxyphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OCC=C)C(=O)O

Isomeric SMILES

COC1=C(C=CC=C1C2CC(=O)N(C2)C3=CC=C(C=C3)OCC=C)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-3-11-27-16-9-7-15(8-10-16)22-13-14(12-19(22)23)17-5-4-6-18(21(24)25)20(17)26-2/h3-10,14H,1,11-13H2,2H3,(H,24,25)