(3S)-1-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-[benzyl(ethyl)amino]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[ethyl-(phenylmethyl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-[benzyl(ethyl)amino]-2-keto-ethyl]nipecotic acid Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C17H24N2O3/c1-2-19(11-14-7-4-3-5-8-14)16(20)13-18-10-6-9-15(12-18)17(21)22/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,21,22)/t15-/m0/s1