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

Systemtic Name: 4-[(3S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-methoxy-benzoic acid Openeye Name: 4-[(3S)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-3-yl]-2-methoxy-benzoic acid CAS Name: 4-[(3S)-1-(4-tert-butylphenyl)-5-oxo-3-pyrrolidinyl]-2-methoxybenzoic acid IUPAC Name: 4-[(3S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzoic acid Traditional Name: 4-[(3S)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-3-yl]-2-methoxy-benzoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC(CC2=O)C3=CC(=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C[C@@H](CC2=O)C3=CC(=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H25NO4/c1-22(2,3)16-6-8-17(9-7-16)23-13-15(12-20(23)24)14-5-10-18(21(25)26)19(11-14)27-4/h5-11,15H,12-13H2,1-4H3,(H,25,26)/t15-/m1/s1