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

Systemtic Name: ethyl 6-fluoranyl-1-(3-iodanylphenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-fluoro-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-fluoro-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-fluoro-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C23H19FIN3O3 MolecularWeight: 531.318133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19FIN3O3/c1-3-31-23(29)22-16(11-28-13-26-12-27-28)7-15-9-19(24)20(30-2)10-18(15)21(22)14-5-4-6-17(25)8-14/h4-10,12-13H,3,11H2,1-2H3