2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NC5=CC=CC=C5OC6=CC=CC=C64

InChI

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