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

Systemtic Name: ethyl 8-(tert-butylcarbamoyloxy)-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-(tert-butylcarbamoyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 8-[(tert-butylamino)-oxomethoxy]-3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(tert-butylcarbamoyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-(tert-butylcarbamoyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C29H32FN3O5 MolecularWeight: 521.579883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32FN3O5/c1-7-37-26(35)21-15-33(25(34)17-8-10-18(30)11-9-17)16-29(5,6)23-20-13-12-19(14-22(20)31-24(21)23)38-27(36)32-28(2,3)4/h8-15,31H,7,16H2,1-6H3,(H,32,36)