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

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-7-iodanyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(2-hydroxyphenyl)phenyl]-7-iodo-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H28IN3O3 MolecularWeight: 665.51959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)I)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)I)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C35H28IN3O3/c1-2-42-35(41)34-28(20-39-22-37-21-38-39)18-26-17-27(15-23-9-4-3-5-10-23)31(36)19-30(26)33(34)25-12-8-11-24(16-25)29-13-6-7-14-32(29)40/h3-14,16-19,21-22,40H,2,15,20H2,1H3