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

Systemtic Name: ethyl 1-(3-iodanylphenyl)-7-methoxy-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-iodophenyl)-7-methoxy-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-(3-iodophenyl)-7-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H26IN3O3 MolecularWeight: 603.45021

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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)CC4=CC=CC=C4)CN5C=NC=N5

Isomeric SMILES

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

InChI

InChI=1S/C30H26IN3O3/c1-3-37-30(35)29-24(17-34-19-32-18-33-34)14-22-13-23(12-20-8-5-4-6-9-20)27(36-2)16-26(22)28(29)21-10-7-11-25(31)15-21/h4-11,13-16,18-19H,3,12,17H2,1-2H3