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

Systemtic Name: 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2,4-dimethoxyphenyl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-31-20-7-9-23(24(16-20)32-2)28-13-11-27(12-14-28)10-4-3-5-19-17-26-22-8-6-18(25(29)30)15-21(19)22/h6-9,15-17,26H,3-5,10-14H2,1-2H3,(H,29,30)