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

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-phenylmethoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-benzyloxycarbonyloxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-phenylmethoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-phenylmethoxycarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-carbobenzoxyoxy-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C32H29FN2O6 MolecularWeight: 556.580863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)OCC4=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)OCC4=CC=CC=C4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H29FN2O6/c1-4-39-30(37)25-17-35(29(36)21-10-12-22(33)13-11-21)19-32(2,3)27-24-15-14-23(16-26(24)34-28(25)27)41-31(38)40-18-20-8-6-5-7-9-20/h5-17,34H,4,18-19H2,1-3H3