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

Systemtic Name: 3-[[(2S)-1-(4-tert-butylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]benzoic acid Openeye Name: 3-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-pyrrolidin-2-yl]methoxymethyl]benzoic acid CAS Name: 3-[[(2S)-1-(4-tert-butylphenyl)-5-oxo-2-pyrrolidinyl]methoxymethyl]benzoic acid IUPAC Name: 3-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid Traditional Name: 3-[[(2S)-1-(4-tert-butylphenyl)-5-keto-pyrrolidin-2-yl]methoxymethyl]benzoic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2[C@@H](CCC2=O)COCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H27NO4/c1-23(2,3)18-7-9-19(10-8-18)24-20(11-12-21(24)25)15-28-14-16-5-4-6-17(13-16)22(26)27/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,26,27)/t20-/m0/s1