4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-1-methyl-piperidine-3-carboxylic acid

Systemtic Name: 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-1-methyl-piperidine-3-carboxylic acid Openeye Name: 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-1-methyl-piperidine-3-carboxylic acid CAS Name: 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-1-methyl-3-piperidinecarboxylic acid IUPAC Name: 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-1-methylpiperidine-3-carboxylic acid Traditional Name: 4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]-1-methyl-nipecotic acid Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CN1CCC(C(C1)C(=O)O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C25H33N3O2/c1-26-17-14-24(21(18-26)25(29)30)27(2)15-7-16-28-22-10-5-3-8-19(22)12-13-20-9-4-6-11-23(20)28/h3-6,8-11,21,24H,7,12-18H2,1-2H3,(H,29,30)