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

Systemtic Name: methyl 2-[4-[(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)methyl]phenyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H24N2O3/c1-4-7-20-19(21(25)24(2)23-20)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22(26)27-3/h5-6,8-13,23H,4,7,14H2,1-3H3