tert-butyl 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 10-(2,4-dichlorophenyl)-6-(2-phenoxyethyl)-1,2,4,5,5a,10b-hexahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C31H34Cl2N2O3 MolecularWeight: 553.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2C(CC1)N(C3=CC=CC(=C23)C4=C(C=C(C=C4)Cl)Cl)CCOC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2C(CC1)N(C3=CC=CC(=C23)C4=C(C=C(C=C4)Cl)Cl)CCOC5=CC=CC=C5

InChI

InChI=1S/C31H34Cl2N2O3/c1-31(2,3)38-30(36)34-16-14-25-27(15-17-34)35(18-19-37-22-8-5-4-6-9-22)28-11-7-10-24(29(25)28)23-13-12-21(32)20-26(23)33/h4-13,20,25,27H,14-19H2,1-3H3