(2R,3S)-6-oxidanylidene-1-(phenylmethyl)-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid

Systemtic Name: (2R,3S)-6-oxidanylidene-1-(phenylmethyl)-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid Openeye Name: (2R,3S)-1-benzyl-2-(4-isopropylphenyl)-6-oxo-piperidine-3-carboxylic acid CAS Name: (2R,3S)-6-oxo-1-(phenylmethyl)-2-(4-propan-2-ylphenyl)-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid Traditional Name: (2R,3S)-1-benzyl-6-keto-2-p-cumenyl-nipecotic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-15(2)17-8-10-18(11-9-17)21-19(22(25)26)12-13-20(24)23(21)14-16-6-4-3-5-7-16/h3-11,15,19,21H,12-14H2,1-2H3,(H,25,26)/t19-,21-/m0/s1