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

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 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-1-methyl-ethyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H21N3O3/c1-15(21(26)20-10-9-17-3-2-4-19(17)11-20)28-22(27)18-7-5-16(6-8-18)12-25-14-23-13-24-25/h5-11,13-15H,2-4,12H2,1H3