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

Systemtic Name: ethyl 1-(3-hydroxyphenyl)-7-iodanyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-hydroxyphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-hydroxyphenyl)-7-iodo-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-hydroxyphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-(3-hydroxyphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H24IN3O3 MolecularWeight: 589.42363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)O)I)CC4=CC=CC=C4)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)O)I)CC4=CC=CC=C4)CN5C=NC=N5

InChI

InChI=1S/C29H24IN3O3/c1-2-36-29(35)28-23(16-33-18-31-17-32-33)13-21-12-22(11-19-7-4-3-5-8-19)26(30)15-25(21)27(28)20-9-6-10-24(34)14-20/h3-10,12-15,17-18,34H,2,11,16H2,1H3