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

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-pyrrolidin-1-ylcarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(pyrrolidine-1-carbonyloxy)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-[oxo(1-pyrrolidinyl)methoxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(pyrrolidine-1-carbonyloxy)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(pyrrolidine-1-carbonyloxy)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C29H30FN3O5 MolecularWeight: 519.564003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCCC4)(C)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCCC4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H30FN3O5/c1-4-37-27(35)22-16-33(26(34)18-7-9-19(30)10-8-18)17-29(2,3)24-21-12-11-20(15-23(21)31-25(22)24)38-28(36)32-13-5-6-14-32/h7-12,15-16,31H,4-6,13-14,17H2,1-3H3