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

Systemtic Name: ethyl 1-(3-hydroxyphenyl)-7-oxidanyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-hydroxy-1-(3-hydroxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-hydroxy-1-(3-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O4/c1-2-36-29(35)28-23(16-32-18-30-17-31-32)13-21-12-22(11-19-7-4-3-5-8-19)26(34)15-25(21)27(28)20-9-6-10-24(33)14-20/h3-10,12-15,17-18,33-34H,2,11,16H2,1H3