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

Systemtic Name: methyl 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxidanylidene-5-propyl-pyrazol-4-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propyl-pyrazol-4-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propyl-4-pyrazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[1-(2-hydroxyethyl)-2-methyl-3-oxo-5-propylpyrazol-4-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[1-(2-hydroxyethyl)-3-keto-2-methyl-5-propyl-3-pyrazolin-4-yl]methyl]phenyl]benzoic acid methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H28N2O4/c1-4-7-22-21(23(28)25(2)26(22)14-15-27)16-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24(29)30-3/h5-6,8-13,27H,4,7,14-16H2,1-3H3