2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazino]acetic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H24N4O2/c1-15-2-3-19-17(12-15)18(13-23-19)20(21(26)27)25-10-8-24(9-11-25)14-16-4-6-22-7-5-16/h2-7,12-13,20,23H,8-11,14H2,1H3,(H,26,27)