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

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

Click to see the large picture

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)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)C)O)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H39N3O4/c1-4-39-33(38)32-25(3)36(21-26-8-6-5-7-9-26)31-15-14-29(20-30(31)32)40-23-28(37)22-34-16-18-35(19-17-34)27-12-10-24(2)11-13-27/h5-15,20,28,37H,4,16-19,21-23H2,1-3H3