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

Systemtic Name: ethyl 7-bromanyl-1-(3-ethoxyphenyl)-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-bromo-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-bromo-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-bromo-6-hydroxy-1-m-phenetyl-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:

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)O)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)O)Br

InChI

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