2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-[4-(2-pyridyl)piperazino]acetic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27N5O3/c1-15(2)22(29)26-16-6-7-17-18(14-25-19(17)13-16)21(23(30)31)28-11-9-27(10-12-28)20-5-3-4-8-24-20/h3-8,13-15,21,25H,9-12H2,1-2H3,(H,26,29)(H,30,31)