2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylbenzoate

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylbenzoate Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzoate CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]benzoate IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzoate Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]benzoate Formula: C15H18NO3- MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=CC=C2C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC=CC=C2C(=O)[O-])C

InChI

InChI=1S/C15H19NO3/c1-10-7-11(2)9-16(8-10)14(17)12-5-3-4-6-13(12)15(18)19/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)/p-1/t10-,11-/m0/s1