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

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-1,1-dimethyl-8-piperidin-1-ylcarbonyloxy-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(piperidine-1-carbonyloxy)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-1,1-dimethyl-8-[oxo(1-piperidinyl)methoxy]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(piperidine-1-carbonyloxy)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-1,1-dimethyl-8-(piperidine-1-carbonyloxy)-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C30H32FN3O5 MolecularWeight: 533.590583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCCCC4)(C)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)N4CCCCC4)(C)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H32FN3O5/c1-4-38-28(36)23-17-34(27(35)19-8-10-20(31)11-9-19)18-30(2,3)25-22-13-12-21(16-24(22)32-26(23)25)39-29(37)33-14-6-5-7-15-33/h8-13,16-17,32H,4-7,14-15,18H2,1-3H3