(6-cyclohexa-1,5-dien-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) cyclohexanecarboxylate

Systemtic Name: (6-cyclohexa-1,5-dien-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) cyclohexanecarboxylate Openeye Name: (6-cyclohexa-1,5-dien-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [6-(1-cyclohexa-1,5-dienyl)-7-pyrrolo[2,1-d][1,5]benzoxazepinyl] ester IUPAC Name: (6-cyclohexa-1,5-dien-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid (6-cyclohexa-1,5-dien-1-ylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=C(OC3=CC=CC=C3N4C2=CC=C4)C5=CCCC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=C(OC3=CC=CC=C3N4C2=CC=C4)C5=CCCC=C5

InChI

InChI=1S/C25H25NO3/c27-25(19-12-5-2-6-13-19)29-24-21-15-9-17-26(21)20-14-7-8-16-22(20)28-23(24)18-10-3-1-4-11-18/h3,7-11,14-17,19H,1-2,4-6,12-13H2