1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]cyclopropanecarboxylic acid CAS Name: 1-[[4-(8-methoxy-6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[[4-(8-methoxybenzo[b][1,4]benzoxazepin-6-yl)piperazino]methyl]cyclopropanecarboxylic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CC5(CC5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)CC5(CC5)C(=O)O

InChI

InChI=1S/C23H25N3O4/c1-29-16-6-7-19-17(14-16)21(24-18-4-2-3-5-20(18)30-19)26-12-10-25(11-13-26)15-23(8-9-23)22(27)28/h2-7,14H,8-13,15H2,1H3,(H,27,28)