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

Systemtic Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-1H-indol-3-yl]-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C25H31N5O3 MolecularWeight: 449.54534

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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)CCC4=CC=NC=C4

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCN(CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H31N5O3/c1-17(2)24(31)28-19-3-4-20-21(16-27-22(20)15-19)23(25(32)33)30-13-11-29(12-14-30)10-7-18-5-8-26-9-6-18/h3-6,8-9,15-17,23,27H,7,10-14H2,1-2H3,(H,28,31)(H,32,33)