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

Systemtic Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-6-carboxylic acid Openeye Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-6-carboxylic acid CAS Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-6-carboxylic acid IUPAC Name: 13-cyclohexyl-10-methoxycarbonyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-6-carboxylic acid Traditional Name: 10-carbomethoxy-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-6-carboxylic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(OC4=CC=CC=C43)C(=O)O)C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CC(OC4=CC=CC=C43)C(=O)O)C5CCCCC5

InChI

InChI=1S/C25H25NO5/c1-30-25(29)16-11-12-17-19(13-16)26-14-21(24(27)28)31-20-10-6-5-9-18(20)23(26)22(17)15-7-3-2-4-8-15/h5-6,9-13,15,21H,2-4,7-8,14H2,1H3,(H,27,28)