3-butyl-2-(phenylmethyl)-3,4-dihydropyrazole-5-carboxylic acid

Systemtic Name: 3-butyl-2-(phenylmethyl)-3,4-dihydropyrazole-5-carboxylic acid Openeye Name: 2-benzyl-3-butyl-3,4-dihydropyrazole-5-carboxylic acid CAS Name: 3-butyl-2-(phenylmethyl)-3,4-dihydropyrazole-5-carboxylic acid IUPAC Name: 2-benzyl-3-butyl-3,4-dihydropyrazole-5-carboxylic acid Traditional Name: 1-benzyl-5-butyl-2-pyrazoline-3-carboxylic acid Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=NN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC1CC(=NN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H20N2O2/c1-2-3-9-13-10-14(15(18)19)16-17(13)11-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,18,19)