methyl 13-cyclohexyl-4-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-4-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate Openeye Name: methyl 4-benzyloxy-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate CAS Name: 13-cyclohexyl-4-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 13-cyclohexyl-4-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate Traditional Name: 4-benzoxy-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid methyl ester Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCOC4=C3C=CC=C4OCC5=CC=CC=C5)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCOC4=C3C=CC=C4OCC5=CC=CC=C5)C6CCCCC6

InChI

InChI=1S/C31H31NO4/c1-34-31(33)23-15-16-24-26(19-23)32-17-18-35-30-25(29(32)28(24)22-11-6-3-7-12-22)13-8-14-27(30)36-20-21-9-4-2-5-10-21/h2,4-5,8-10,13-16,19,22H,3,6-7,11-12,17-18,20H2,1H3