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

Systemtic Name: ethyl 7-ethoxy-1-(3-ethoxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-ethoxy-1-(3-ethoxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-(3-ethoxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-ethoxy-1-(3-ethoxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-ethoxy-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

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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)CC5=CC=CC=C5)OCC

Isomeric SMILES

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

InChI

InChI=1S/C33H33N3O4/c1-4-38-28-14-10-13-24(18-28)31-29-19-30(39-5-2)26(15-23-11-8-7-9-12-23)16-25(29)17-27(20-36-22-34-21-35-36)32(31)33(37)40-6-3/h7-14,16-19,21-22H,4-6,15,20H2,1-3H3