(2R,3R)-2-(4-tert-butylphenyl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(4-tert-butylphenyl)-6-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: (2R,3R)-1-benzyl-2-(4-tert-butylphenyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-tert-butylphenyl)-6-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: (2R,3R)-1-benzyl-2-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2R,3R)-1-benzyl-2-(4-tert-butylphenyl)-6-keto-nipecotic acid Formula: C23H27NO3 MolecularWeight: 365.46538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(CCC(=O)N2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2[C@@H](CCC(=O)N2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27NO3/c1-23(2,3)18-11-9-17(10-12-18)21-19(22(26)27)13-14-20(25)24(21)15-16-7-5-4-6-8-16/h4-12,19,21H,13-15H2,1-3H3,(H,26,27)/t19-,21+/m1/s1