methyl 3-[3-(3-chloranyl-4-methoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]propanoate

Systemtic Name: methyl 3-[3-(3-chloranyl-4-methoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]propanoate Openeye Name: methyl 3-[3-(3-chloro-4-methoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl]propanoate CAS Name: 3-[3-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl]propanoate Traditional Name: 3-[3-(3-chloro-4-methoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl]propionic acid methyl ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=N2)C3=CC=NC=C3)CCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=N2)C3=CC=NC=C3)CCC(=O)OC)Cl

InChI

InChI=1S/C18H17ClN4O3/c1-25-15-4-3-13(11-14(15)19)17-21-18(12-5-8-20-9-6-12)23(22-17)10-7-16(24)26-2/h3-6,8-9,11H,7,10H2,1-2H3