ethyl 2-(2-ethoxyphenyl)-2-(phenylmethyl)-3-(1,2,4-triazol-1-yl)propanoate

Systemtic Name: ethyl 2-(2-ethoxyphenyl)-2-(phenylmethyl)-3-(1,2,4-triazol-1-yl)propanoate Openeye Name: ethyl 2-benzyl-2-(2-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanoate CAS Name: 2-(2-ethoxyphenyl)-2-(phenylmethyl)-3-(1,2,4-triazol-1-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-2-(2-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanoate Traditional Name: 2-benzyl-2-o-phenetyl-3-(1,2,4-triazol-1-yl)propionic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(CC2=CC=CC=C2)(CN3C=NC=N3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(CC2=CC=CC=C2)(CN3C=NC=N3)C(=O)OCC

InChI

InChI=1S/C22H25N3O3/c1-3-27-20-13-9-8-12-19(20)22(21(26)28-4-2,15-25-17-23-16-24-25)14-18-10-6-5-7-11-18/h5-13,16-17H,3-4,14-15H2,1-2H3