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

Systemtic Name: ethyl 2-methyl-5-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]-2-methyl-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)CC4=CC=CC=C4)O)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)CC5=CC=CC=C5)C

InChI

InChI=1S/C33H39N3O4/c1-3-39-33(38)32-25(2)36(22-27-12-8-5-9-13-27)31-15-14-29(20-30(31)32)40-24-28(37)23-35-18-16-34(17-19-35)21-26-10-6-4-7-11-26/h4-15,20,28,37H,3,16-19,21-24H2,1-2H3