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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-fluoranyl-7-iodanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-fluoro-7-iodo-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C24H21FIN3O3 MolecularWeight: 545.344713

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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)F)I

Isomeric SMILES

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

InChI

InChI=1S/C24H21FIN3O3/c1-3-31-18-7-5-6-15(9-18)22-19-11-21(26)20(25)10-16(19)8-17(12-29-14-27-13-28-29)23(22)24(30)32-4-2/h5-11,13-14H,3-4,12H2,1-2H3