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

Systemtic Name: ethyl 8-(azetidin-1-ylcarbonyloxy)-3-(4-fluorophenyl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-(azetidine-1-carbonyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 8-[1-azetidinyl(oxo)methoxy]-3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(azetidine-1-carbonyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-(azetidine-1-carbonyloxy)-3-(4-fluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C28H28FN3O5 MolecularWeight: 505.537423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCC4)(C)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCC4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN3O5/c1-4-36-26(34)21-15-32(25(33)17-6-8-18(29)9-7-17)16-28(2,3)23-20-11-10-19(14-22(20)30-24(21)23)37-27(35)31-12-5-13-31/h6-11,14-15,30H,4-5,12-13,16H2,1-3H3