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

Systemtic Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C28H26N4O3/c1-18-25(19-8-2-4-10-21(19)29-18)26(28(33)34)31-14-16-32(17-15-31)27-20-9-3-6-12-23(20)35-24-13-7-5-11-22(24)30-27/h2-13,26,29H,14-17H2,1H3,(H,33,34)