(3S)-1-(2,5-dimethylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(2,5-dimethylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(2,5-dimethylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2,5-dimethylphenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2,5-dimethylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2,5-dimethylbenzoyl)nipecotate Formula: C15H18NO3- MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C15H19NO3/c1-10-5-6-11(2)13(8-10)14(17)16-7-3-4-12(9-16)15(18)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1