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

Systemtic Name: 2-[[(3S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]methoxycarbonyl]benzoic acid Openeye Name: 2-[[(3S)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-3-yl]methoxycarbonyl]benzoic acid CAS Name: 2-[[(3S)-1-(4-tert-butylphenyl)-5-oxo-3-pyrrolidinyl]methoxy-oxomethyl]benzoic acid IUPAC Name: 2-[[(3S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methoxycarbonyl]benzoic acid Traditional Name: 2-[[(3S)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-3-yl]methoxycarbonyl]benzoic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC(CC2=O)COC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C[C@H](CC2=O)COC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25NO5/c1-23(2,3)16-8-10-17(11-9-16)24-13-15(12-20(24)25)14-29-22(28)19-7-5-4-6-18(19)21(26)27/h4-11,15H,12-14H2,1-3H3,(H,26,27)/t15-/m0/s1