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

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5/c1-13(2)9-11-28-17-8-7-15(12-18(17)27-4)21(26)29-14(3)20(25)24-16-6-5-10-23-19(16)22/h5-8,10,12-14H,9,11H2,1-4H3,(H,24,25)