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

Systemtic Name: (3S)-1-[(3-chloranyl-2-methyl-phenyl)carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-chloro-2-methylanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-chloro-2-methyl-phenyl)carbamoyl]nipecotate Formula: C14H16ClN2O3- MolecularWeight: 295.74144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H17ClN2O3/c1-9-11(15)5-2-6-12(9)16-14(20)17-7-3-4-10(8-17)13(18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,16,20)(H,18,19)/p-1/t10-/m0/s1