methyl 2-[4-[(5-butyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(5-butyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-5-keto-1-methyl-3-pyrazolin-4-yl)methyl]phenyl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H26N2O3/c1-4-5-10-21-20(22(26)25(2)24-21)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(27)28-3/h6-9,11-14,24H,4-5,10,15H2,1-3H3