ethyl 1-(3-chlorophenyl)-7-ethoxy-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-chlorophenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-chlorophenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C24H22ClN3O4 MolecularWeight: 451.90218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H22ClN3O4/c1-3-31-21-11-19-16(10-20(21)29)8-17(12-28-14-26-13-27-28)23(24(30)32-4-2)22(19)15-6-5-7-18(25)9-15/h5-11,13-14,29H,3-4,12H2,1-2H3