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

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-6-methoxy-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-benzyl-1-(3-ethoxyphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-6-methoxy-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-benzyl-1-(3-ethoxyphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-benzyl-6-methoxy-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C32H31N3O4 MolecularWeight: 521.60624

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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)OC)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C32H31N3O4/c1-4-38-27-13-9-12-23(16-27)30-28-17-25(14-22-10-7-6-8-11-22)29(37-3)18-24(28)15-26(19-35-21-33-20-34-35)31(30)32(36)39-5-2/h6-13,15-18,20-21H,4-5,14,19H2,1-3H3