tert-butyl 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoate

Systemtic Name: tert-butyl 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoate Openeye Name: tert-butyl 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoate CAS Name: 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoate Traditional Name: 2-(2-methoxyphenyl)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid tert-butyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(CN2C=NC=N2)(C3=CC=CC=C3OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)C(CN2C=NC=N2)(C3=CC=CC=C3OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O3/c1-6-12-21(20-13-8-7-9-14-20)26(17-29-19-27-18-28-29,24(30)32-25(2,3)4)22-15-10-11-16-23(22)31-5/h7-11,13-16,18-19,21H,6,12,17H2,1-5H3