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

Systemtic Name: ethyl 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-7-hydroxy-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-7-hydroxy-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-7-hydroxy-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-7-hydroxy-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C28H22BrN3O4 MolecularWeight: 544.39598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)O)C5=CC(=CC=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H22BrN3O4/c1-2-36-28(35)27-19(14-32-16-30-15-31-32)10-18-12-23(21-8-3-4-9-24(21)33)25(34)13-22(18)26(27)17-6-5-7-20(29)11-17/h3-13,15-16,33-34H,2,14H2,1H3