(3R,6R)-6-[[(Z)-[(2-methylphenyl)-phenyl-methylidene]amino]oxymethyl]piperidine-3-carboxylic acid

Systemtic Name: (3R,6R)-6-[[(Z)-[(2-methylphenyl)-phenyl-methylidene]amino]oxymethyl]piperidine-3-carboxylic acid Openeye Name: (3R,6R)-6-[[(Z)-[o-tolyl(phenyl)methylene]amino]oxymethyl]piperidine-3-carboxylic acid CAS Name: (3R,6R)-6-[[(Z)-[(2-methylphenyl)-phenylmethylidene]amino]oxymethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R,6R)-6-[[(Z)-[(2-methylphenyl)-phenylmethylidene]amino]oxymethyl]piperidine-3-carboxylic acid Traditional Name: (3R,6R)-6-[[(Z)-[o-tolyl(phenyl)methylene]amino]oxymethyl]nipecotic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=NOCC2CCC(CN2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1/C(=N\OC[C@H]2CC[C@H](CN2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-15-7-5-6-10-19(15)20(16-8-3-2-4-9-16)23-26-14-18-12-11-17(13-22-18)21(24)25/h2-10,17-18,22H,11-14H2,1H3,(H,24,25)/b23-20-/t17-,18-/m1/s1