[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C21H19N3O3/c25-20(19-9-8-16-2-1-3-18(16)10-19)12-27-21(26)17-6-4-15(5-7-17)11-24-14-22-13-23-24/h4-10,13-14H,1-3,11-12H2