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

Systemtic Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-hydroxy-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)O)OCC

InChI

InChI=1S/C26H27N3O5/c1-4-32-20-9-7-8-17(11-20)24-21-13-23(33-5-2)22(30)12-18(21)10-19(14-29-16-27-15-28-29)25(24)26(31)34-6-3/h7-13,15-16,30H,4-6,14H2,1-3H3