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

Systemtic Name: 4-[[(2S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 4-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[[(2S)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-2-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)N2C(CCC2=O)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2[C@@H](CCC2=O)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-22(2,3)16-6-8-17(9-7-16)23-18(10-13-20(23)24)14-27-19-11-4-15(5-12-19)21(25)26/h4-9,11-12,18H,10,13-14H2,1-3H3,(H,25,26)/t18-/m0/s1