ethyl 8-ethoxycarbonyloxy-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 8-ethoxycarbonyloxy-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-ethoxycarbonyloxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 8-ethoxycarbonyloxy-3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-ethoxycarbonyloxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-carbethoxyoxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C27H27FN2O6 MolecularWeight: 494.511483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)OCC)(C)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)OCC)(C)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O6/c1-5-34-25(32)20-14-30(24(31)16-7-9-17(28)10-8-16)15-27(3,4)22-19-12-11-18(36-26(33)35-6-2)13-21(19)29-23(20)22/h7-14,29H,5-6,15H2,1-4H3