methyl 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate CAS Name: 3-[4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate Traditional Name: 3-[4-[4-(2,4-dimethoxyphenyl)piperazino]butyl]-1H-indole-5-carboxylic acid methyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C26H33N3O4/c1-31-21-8-10-24(25(17-21)32-2)29-14-12-28(13-15-29)11-5-4-6-20-18-27-23-9-7-19(16-22(20)23)26(30)33-3/h7-10,16-18,27H,4-6,11-15H2,1-3H3