(4-butoxyphenyl)methyl 4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylate

Systemtic Name: (4-butoxyphenyl)methyl 4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylate Openeye Name: (4-butoxyphenyl)methyl 4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylate CAS Name: 4-(4-methyl-1-piperazinyl)-1H-indole-2-carboxylic acid (4-butoxyphenyl)methyl ester IUPAC Name: (4-butoxyphenyl)methyl 4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylate Traditional Name: 4-(4-methylpiperazino)-1H-indole-2-carboxylic acid (4-butoxybenzyl) ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)COC(=O)C2=CC3=C(N2)C=CC=C3N4CCN(CC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)COC(=O)C2=CC3=C(N2)C=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C25H31N3O3/c1-3-4-16-30-20-10-8-19(9-11-20)18-31-25(29)23-17-21-22(26-23)6-5-7-24(21)28-14-12-27(2)13-15-28/h5-11,17,26H,3-4,12-16,18H2,1-2H3