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

Systemtic Name: 4-[[(3R)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[(3R)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-3-yl]methoxy]benzoic acid CAS Name: 4-[[(3R)-1-(4-tert-butylphenyl)-5-oxo-3-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[(3R)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[[(3R)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-3-yl]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)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C[C@@H](CC2=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-22(2,3)17-6-8-18(9-7-17)23-13-15(12-20(23)24)14-27-19-10-4-16(5-11-19)21(25)26/h4-11,15H,12-14H2,1-3H3,(H,25,26)/t15-/m1/s1