ethyl 5-acetyloxy-6-bromanyl-1-cyclohexyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-cyclohexyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-cyclohexyl-2-[[4-(p-tolyl)piperazin-1-yl]methyl]indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-cyclohexyl-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-cyclohexyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-cyclohexyl-2-[[4-(p-tolyl)piperazino]methyl]indole-3-carboxylic acid ethyl ester Formula: C31H38BrN3O4 MolecularWeight: 596.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3CCCCC3)CN4CCN(CC4)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H38BrN3O4/c1-4-38-31(37)30-25-18-29(39-22(3)36)26(32)19-27(25)35(24-8-6-5-7-9-24)28(30)20-33-14-16-34(17-15-33)23-12-10-21(2)11-13-23/h10-13,18-19,24H,4-9,14-17,20H2,1-3H3