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

Systemtic Name: methyl 2-[4-[[5-(hydroxymethyl)-3-propyl-pyrazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[5-(hydroxymethyl)-3-propyl-pyrazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-pyrazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[5-(hydroxymethyl)-3-propylpyrazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(5-methylol-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=NN(C(=C1)CO)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H24N2O3/c1-3-6-18-13-19(15-25)24(23-18)14-16-9-11-17(12-10-16)20-7-4-5-8-21(20)22(26)27-2/h4-5,7-13,25H,3,6,14-15H2,1-2H3