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

Systemtic Name: 13-cyclohexyl-2-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 2-benzyloxy-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-2-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-2-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 2-benzoxy-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C=CC(=C4)OCC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C=CC(=C4)OCC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

InChI

InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-14-12-23(35-19-20-7-3-1-4-8-20)18-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)