3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid; 2-methylpropan-2-amine

Systemtic Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid; 2-methylpropan-2-amine Openeye Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid; 2-methylpropan-2-amine CAS Name: 3-[4-[4-(4-methoxyphenyl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid; 2-methyl-2-propanamine IUPAC Name: 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid; 2-methylpropan-2-amine Traditional Name: tert-butylamine; 3-[4-[4-(4-methoxyphenyl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3.C4H11N/c1-30-21-8-6-20(7-9-21)27-14-12-26(13-15-27)11-3-2-4-19-17-25-23-10-5-18(24(28)29)16-22(19)23;1-4(2,3)5/h5-10,16-17,25H,2-4,11-15H2,1H3,(H,28,29);5H2,1-3H3