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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-10-6-11(2)8-13(7-10)14(17)16-5-3-4-12(9-16)15(18)19/h6-8,12H,3-5,9H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1