2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(1H-indol-3-yl)acetic acid Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(C5=CNC6=CC=CC=C65)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(C5=CNC6=CC=CC=C65)C(=O)O

InChI

InChI=1S/C27H24N4O3/c32-27(33)25(20-17-28-21-9-3-1-7-18(20)21)30-13-15-31(16-14-30)26-19-8-2-5-11-23(19)34-24-12-6-4-10-22(24)29-26/h1-12,17,25,28H,13-16H2,(H,32,33)