1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl pyridine-3-carboxylate

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl pyridine-3-carboxylate Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 1-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]-oxomethoxy]ethyl ester IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylcarbamoyl]oxyethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methyl-carbamoyl]oxyethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=CN=CC=C1)OC(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC(OC(=O)C1=CN=CC=C1)OC(=O)N(C)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C27H29N3O4/c1-20(33-26(31)23-11-7-16-28-19-23)34-27(32)29(2)17-8-18-30-24-12-5-3-9-21(24)14-15-22-10-4-6-13-25(22)30/h3-7,9-13,16,19-20H,8,14-15,17-18H2,1-2H3