3-[3-(3-methyl-5-propan-2-yl-phenoxy)-2-oxidanylidene-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(3-methyl-5-propan-2-yl-phenoxy)-2-oxidanylidene-pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(3-isopropyl-5-methyl-phenoxy)-2-oxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(3-methyl-5-propan-2-ylphenoxy)-2-oxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(3-methyl-5-propan-2-ylphenoxy)-2-oxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(3-isopropyl-5-methyl-phenoxy)-2-keto-pyrrolidino]benzoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2CCN(C2=O)C3=CC=CC(=C3)C(=O)O)C(C)C

InChI

InChI=1S/C21H23NO4/c1-13(2)16-9-14(3)10-18(12-16)26-19-7-8-22(20(19)23)17-6-4-5-15(11-17)21(24)25/h4-6,9-13,19H,7-8H2,1-3H3,(H,24,25)