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

Systemtic Name: ethyl 7-fluoranyl-6-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C28H22FN3O4 MolecularWeight: 483.490383

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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)F)C5=CC(=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C28H22FN3O4/c1-2-36-28(35)27-19(14-32-16-30-15-31-32)10-18-12-23(21-8-3-4-9-25(21)34)24(29)13-22(18)26(27)17-6-5-7-20(33)11-17/h3-13,15-16,33-34H,2,14H2,1H3