13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-3-phenoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C=C(C=C4)OC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C=C(C=C4)OC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

InChI

InChI=1S/C29H27NO4/c31-29(32)20-11-13-23-25(17-20)30-15-16-33-26-18-22(34-21-9-5-2-6-10-21)12-14-24(26)28(30)27(23)19-7-3-1-4-8-19/h2,5-6,9-14,17-19H,1,3-4,7-8,15-16H2,(H,31,32)