2-[2,6-bis(chloranyl)phenoxy]-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid

Systemtic Name: 2-[2,6-bis(chloranyl)phenoxy]-3-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 2-(2,6-dichlorophenoxy)-3-oxo-2-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 2-(2,6-dichlorophenoxy)-3-oxo-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 2-(2,6-dichlorophenoxy)-3-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 2-(2,6-dichlorophenoxy)-3-keto-2-[4-(4-pyridyl)piperazino]butyric acid Formula: C19H19Cl2N3O4 MolecularWeight: 424.27786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C19H19Cl2N3O4/c1-13(25)19(18(26)27,28-17-15(20)3-2-4-16(17)21)24-11-9-23(10-12-24)14-5-7-22-8-6-14/h2-8H,9-12H2,1H3,(H,26,27)