(3S)-1-[2-[(3-methyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(3-methyl-4-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-isopropyl-3-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3-methyl-4-propan-2-ylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3-methyl-4-propan-2-ylanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(4-isopropyl-3-methyl-anilino)-2-keto-ethyl]nipecotic acid Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-12(2)16-7-6-15(9-13(16)3)19-17(21)11-20-8-4-5-14(10-20)18(22)23/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,19,21)(H,22,23)/t14-/m0/s1