propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate

Systemtic Name: propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: isopropyl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid isopropyl ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CN2C(=NN=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-18(2)30-25(29)22-15-13-19(14-16-22)17-28-23(20-9-5-3-6-10-20)26-27-24(28)21-11-7-4-8-12-21/h3-16,18H,17H2,1-2H3