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

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-phenoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-phenoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-[oxo(phenoxy)methoxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-phenoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-carbophenoxyoxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C31H27FN2O6 MolecularWeight: 542.554283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)OC4=CC=CC=C4)(C)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)OC4=CC=CC=C4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H27FN2O6/c1-4-38-29(36)24-17-34(28(35)19-10-12-20(32)13-11-19)18-31(2,3)26-23-15-14-22(16-25(23)33-27(24)26)40-30(37)39-21-8-6-5-7-9-21/h5-17,33H,4,18H2,1-3H3