(7-methoxynaphthalen-2-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (7-methoxynaphthalen-2-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (7-methoxy-2-naphthyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (7-methoxy-2-naphthalenyl) ester IUPAC Name: (7-methoxynaphthalen-2-yl) 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (7-methoxy-2-naphthyl) ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H17N3O3/c1-26-19-8-6-16-7-9-20(11-18(16)10-19)27-21(25)17-4-2-15(3-5-17)12-24-14-22-13-23-24/h2-11,13-14H,12H2,1H3