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

Systemtic Name: 2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(2-methyl-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(2-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=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)CC4=CC=NC=C4

InChI

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