[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylbutoxy)benzoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic 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-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-13(2)10-11-26-17-7-4-15(5-8-17)20(25)27-14(3)19(24)23-18-9-6-16(21)12-22-18/h4-9,12-14H,10-11H2,1-3H3,(H,22,23,24)