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

Systemtic Name: ethyl 2-methyl-1-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-[4-(p-tolyl)piperazin-1-yl]propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-[4-(4-methylphenyl)-1-piperazinyl]propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[2-hydroxy-3-[4-(p-tolyl)piperazino]propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C)O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C)O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C33H39N3O4/c1-5-39-33(38)32-25(4)36(27-12-8-24(3)9-13-27)31-15-14-29(20-30(31)32)40-22-28(37)21-34-16-18-35(19-17-34)26-10-6-23(2)7-11-26/h6-15,20,28,37H,5,16-19,21-22H2,1-4H3