ethyl 2,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethanoyloxy]-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethanoyloxy]-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-2,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)acetyl]oxy-indole-3-carboxylate CAS Name: 2,6-dimethyl-5-[2-(4-methyl-1-piperazinyl)-1-oxoethoxy]-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)acetyl]oxyindole-3-carboxylate Traditional Name: 1-benzyl-2,6-dimethyl-5-[2-(4-methylpiperazino)acetyl]oxy-indole-3-carboxylic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)CN3CCN(CC3)C)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)CN3CCN(CC3)C)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H33N3O4/c1-5-33-27(32)26-20(3)30(17-21-9-7-6-8-10-21)23-15-19(2)24(16-22(23)26)34-25(31)18-29-13-11-28(4)12-14-29/h6-10,15-16H,5,11-14,17-18H2,1-4H3