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

Systemtic Name: ethyl 7-iodanyl-6-(phenylmethyl)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-(3-benzylphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-iodo-6-(phenylmethyl)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-benzylphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-(3-benzylphenyl)-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H30IN3O2 MolecularWeight: 663.54677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)I)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)CC4=CC=CC=C4)I)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C36H30IN3O2/c1-2-42-36(41)35-31(22-40-24-38-23-39-40)20-29-19-30(17-26-12-7-4-8-13-26)33(37)21-32(29)34(35)28-15-9-14-27(18-28)16-25-10-5-3-6-11-25/h3-15,18-21,23-24H,2,16-17,22H2,1H3