[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C22H23N3O3/c1-3-24(15-18-7-5-4-6-8-18)21(26)16-28-22(27)19-9-11-20(12-10-19)25-17(2)13-14-23-25/h4-14H,3,15-16H2,1-2H3