[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-2,3-dihydroindol-1-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-keto-1-methyl-2-(2-methylindolin-1-yl)ethyl] ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H22N4O3/c1-15-11-19-5-3-4-6-20(19)26(15)21(27)16(2)29-22(28)18-9-7-17(8-10-18)12-25-14-23-13-24-25/h3-10,13-16H,11-12H2,1-2H3