prop-2-enyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate

Systemtic Name: prop-2-enyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate Openeye Name: allyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate CAS Name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate Traditional Name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butyric acid allyl ester Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O2/c1-2-14-28-21(27)22(15-26-17-24-16-25-26,19-6-4-3-5-7-19)13-12-18-8-10-20(23)11-9-18/h2-11,16-17H,1,12-15H2