[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C23H23N3O4/c1-16(2)22(28)25-20-10-8-18(9-11-20)21(27)15-30-23(29)19-6-4-17(5-7-19)14-26-13-3-12-24-26/h3-13,16H,14-15H2,1-2H3,(H,25,28)