2-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]oxyethanoic acid

Systemtic Name: 2-[1-[2-(oxidanylidenemethylidene)-3-(propan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]indol-5-yl]oxyethanoic acid Openeye Name: 2-[1-[3-(isopropylamino)-2-(oxomethylene)-4-(2-pyridyl)piperazin-1-yl]indol-5-yl]oxyacetic acid CAS Name: 2-[[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-5-indolyl]oxy]acetic acid IUPAC Name: 2-[1-[2-(oxomethylidene)-3-(propan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]indol-5-yl]oxyacetic acid Traditional Name: 2-[1-[3-(isopropylamino)-2-(ketomethylene)-4-(2-pyridyl)piperazino]indol-5-yl]oxyacetic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)OCC(=O)O

Isomeric SMILES

CC(C)NC1C(=C=O)N(CCN1C2=CC=CC=N2)N3C=CC4=C3C=CC(=C4)OCC(=O)O

InChI

InChI=1S/C23H25N5O4/c1-16(2)25-23-20(14-29)28(12-11-26(23)21-5-3-4-9-24-21)27-10-8-17-13-18(6-7-19(17)27)32-15-22(30)31/h3-10,13,16,23,25H,11-12,15H2,1-2H3,(H,30,31)