2-[(2S,4S)-2,4-dimethylpiperidin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[(2S,4S)-2,4-dimethylpiperidin-1-yl]carbonylbenzoic acid Openeye Name: 2-[(2S,4S)-2,4-dimethylpiperidine-1-carbonyl]benzoic acid CAS Name: 2-[[(2S,4S)-2,4-dimethyl-1-piperidinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[(2S,4S)-2,4-dimethylpiperidine-1-carbonyl]benzoic acid Traditional Name: 2-[(2S,4S)-2,4-dimethylpiperidine-1-carbonyl]benzoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

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

InChI

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