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

Systemtic Name: ethyl 7-fluoranyl-1-(3-hydroxyphenyl)-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-fluoro-6-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-fluoro-6-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-fluoro-6-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-fluoro-6-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3O4/c1-2-30-22(29)21-15(10-26-12-24-11-25-26)6-14-8-19(28)18(23)9-17(14)20(21)13-4-3-5-16(27)7-13/h3-9,11-12,27-28H,2,10H2,1H3