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

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c1-16-13-19-5-2-3-6-20(19)25(16)21(26)15-28-22(27)18-9-7-17(8-10-18)14-24-12-4-11-23-24/h2-12,16H,13-15H2,1H3