ethyl 5-acetyloxy-6-bromanyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[(2R)-2-methyl-1-piperidyl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(2R)-2-methyl-1-piperidinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(2R)-2-methylpiperidino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C26H29BrN2O4 MolecularWeight: 513.42346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCCCC4C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCCC[C@H]4C

InChI

InChI=1S/C26H29BrN2O4/c1-4-32-26(31)25-20-14-24(33-18(3)30)21(27)15-22(20)29(19-11-6-5-7-12-19)23(25)16-28-13-9-8-10-17(28)2/h5-7,11-12,14-15,17H,4,8-10,13,16H2,1-3H3/t17-/m1/s1