2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]cyclohexanecarboxylic acid CAS Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-amino]cyclohexanecarboxylic acid Formula: C25H32N2O2 MolecularWeight: 392.53378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)C4CCCCC4C(=O)O

Isomeric SMILES

CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)C4CCCCC4C(=O)O

InChI

InChI=1S/C25H32N2O2/c1-26(24-14-7-4-11-21(24)25(28)29)17-8-18-27-22-12-5-2-9-19(22)15-16-20-10-3-6-13-23(20)27/h2-3,5-6,9-10,12-13,21,24H,4,7-8,11,14-18H2,1H3,(H,28,29)