[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O4/c1-3-4-11-25-16-8-5-14(6-9-16)19(24)26-13(2)18(23)22-17-10-7-15(20)12-21-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,22,23)