[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3/c1-15-12-16(2)24(23-15)19-10-8-18(9-11-19)21(26)27-14-20(25)22-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,22,25)