(3S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-ethyl-6-methylanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2-ethyl-6-methylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]nipecotate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C16H22N2O3/c1-3-12-7-4-6-11(2)14(12)17-16(21)18-9-5-8-13(10-18)15(19)20/h4,6-7,13H,3,5,8-10H2,1-2H3,(H,17,21)(H,19,20)/p-1/t13-/m0/s1