(3S)-1-(4-propan-2-ylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-propan-2-ylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-isopropylbenzoyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[oxo-(4-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-cumoylnipecotic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H21NO3/c1-11(2)12-5-7-13(8-6-12)15(18)17-9-3-4-14(10-17)16(19)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,19,20)/t14-/m0/s1