2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid CAS Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CC(C5=CC=CC=C5C4)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CC(C5=CC=CC=C5C4)C(=O)O

InChI

InChI=1S/C27H28N2O2/c30-27(31)24-19-28(18-22-10-1-4-11-23(22)24)16-7-17-29-25-12-5-2-8-20(25)14-15-21-9-3-6-13-26(21)29/h1-6,8-13,24H,7,14-19H2,(H,30,31)