ethyl 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)OC)OC)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)OC)OC)CN4C=NC=N4

InChI

InChI=1S/C24H22BrN3O4/c1-4-32-24(29)23-17(12-28-14-26-13-27-28)8-16-10-20(30-2)21(31-3)11-19(16)22(23)15-6-5-7-18(25)9-15/h5-11,13-14H,4,12H2,1-3H3