ethyl (3S)-1-[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-(4-methyl-1-piperidyl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-(4-methyl-1-piperidinyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[4-(4-methylpiperidino)anilino]ethyl]nipecotic acid ethyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=C(C=C2)N3CCC(CC3)C

InChI

InChI=1S/C22H33N3O3/c1-3-28-22(27)18-5-4-12-24(15-18)16-21(26)23-19-6-8-20(9-7-19)25-13-10-17(2)11-14-25/h6-9,17-18H,3-5,10-16H2,1-2H3,(H,23,26)/t18-/m0/s1