ethyl 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethanoyloxy]-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-(4-methylpiperazin-1-yl)ethanoyloxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]oxy-indole-3-carboxylate CAS Name: 2-methyl-5-[2-(4-methyl-1-piperazinyl)-1-oxoethoxy]-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]oxyindole-3-carboxylate Traditional Name: 1-benzyl-2-methyl-5-[2-(4-methylpiperazino)acetyl]oxy-indole-3-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)CN3CCN(CC3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)CN3CCN(CC3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3O4/c1-4-32-26(31)25-19(2)29(17-20-8-6-5-7-9-20)23-11-10-21(16-22(23)25)33-24(30)18-28-14-12-27(3)13-15-28/h5-11,16H,4,12-15,17-18H2,1-3H3