3-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]propylamino]methyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]methyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[[3-[4-(4-methoxyphenyl)piperazino]propylamino]methyl]-1-methyl-indole-2-carboxylic acid Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCCCN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CNCCCN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N4O3/c1-27-23-7-4-3-6-21(23)22(24(27)25(30)31)18-26-12-5-13-28-14-16-29(17-15-28)19-8-10-20(32-2)11-9-19/h3-4,6-11,26H,5,12-18H2,1-2H3,(H,30,31)