ethyl 2-methyl-1-(4-methylphenyl)-5-(2-oxidanyl-3-piperazin-1-yl-propoxy)indole-3-carboxylate dihydrochloride

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-(2-oxidanyl-3-piperazin-1-yl-propoxy)indole-3-carboxylate dihydrochloride Openeye Name: ethyl 5-(2-hydroxy-3-piperazin-1-yl-propoxy)-2-methyl-1-(p-tolyl)indole-3-carboxylate dihydrochloride CAS Name: 5-[2-hydroxy-3-(1-piperazinyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 5-(2-hydroxy-3-piperazin-1-ylpropoxy)-2-methyl-1-(4-methylphenyl)indole-3-carboxylate dihydrochloride Traditional Name: 5-(2-hydroxy-3-piperazino-propoxy)-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester dihydrochloride Formula: C26H35Cl2N3O4 MolecularWeight: 524.4798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCNCC3)O)C4=CC=C(C=C4)C)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCNCC3)O)C4=CC=C(C=C4)C)C.Cl.Cl

InChI

InChI=1S/C26H33N3O4.2ClH/c1-4-32-26(31)25-19(3)29(20-7-5-18(2)6-8-20)24-10-9-22(15-23(24)25)33-17-21(30)16-28-13-11-27-12-14-28;;/h5-10,15,21,27,30H,4,11-14,16-17H2,1-3H3;2*1H