2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(7-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(7-methoxy-1H-indol-3-yl)acetic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

COC1=CC=CC2=C1NC=C2C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

InChI

InChI=1S/C28H26N4O4/c1-35-24-12-6-8-18-20(17-29-25(18)24)26(28(33)34)31-13-15-32(16-14-31)27-19-7-2-4-10-22(19)36-23-11-5-3-9-21(23)30-27/h2-12,17,26,29H,13-16H2,1H3,(H,33,34)