(1S,2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-[5,6-dihydrobenzo[b][1]benzazepin-11-yl(oxo)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)cyclohexanecarboxylate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)[O-]

InChI

InChI=1S/C22H23NO3/c24-21(17-9-3-4-10-18(17)22(25)26)23-19-11-5-1-7-15(19)13-14-16-8-2-6-12-20(16)23/h1-2,5-8,11-12,17-18H,3-4,9-10,13-14H2,(H,25,26)/p-1/t17-,18+/m1/s1