(3S)-1-[(2-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(2-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2-isopropylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-(2-propan-2-ylanilino)methyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(o-cumenylcarbamoyl)nipecotate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-11(2)13-7-3-4-8-14(13)17-16(21)18-9-5-6-12(10-18)15(19)20/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,17,21)(H,19,20)/p-1/t12-/m0/s1