1-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)piperazine-2-carboxylic acid CAS Name: 1-[5,6-dihydrobenzo[b][1]benzazepin-11-yl(oxo)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)piperazine-2-carboxylic acid Formula: C28H27N3O5 MolecularWeight: 485.53108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N4CCN(CC4C(=O)O)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N4CCN(CC4C(=O)O)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O5/c32-26(33)25-18-29(28(35)36-19-20-8-2-1-3-9-20)16-17-30(25)27(34)31-23-12-6-4-10-21(23)14-15-22-11-5-7-13-24(22)31/h1-13,25H,14-19H2,(H,32,33)