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

Systemtic Name: ethyl 7-ethoxy-1-(3-iodanylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-ethoxy-1-(3-iodophenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-(3-iodophenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-ethoxy-1-(3-iodophenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-ethoxy-1-(3-iodophenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H28IN3O3 MolecularWeight: 617.47679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)I

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)I

InChI

InChI=1S/C31H28IN3O3/c1-3-37-28-17-27-23(14-24(28)13-21-9-6-5-7-10-21)15-25(18-35-20-33-19-34-35)30(31(36)38-4-2)29(27)22-11-8-12-26(32)16-22/h5-12,14-17,19-20H,3-4,13,18H2,1-2H3