ethyl 7-bromanyl-1-[3-(2-hydroxyphenyl)phenyl]-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-[3-(2-hydroxyphenyl)phenyl]-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-bromo-6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-bromo-6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-bromo-6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-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(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)Br)O)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)Br)O)CN5C=NC=N5

InChI

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