ethyl 3-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(3-methylbutanoyl)-1-(1-naphthylmethyl)pyrazole-4-carboxylate CAS Name: 3-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrazole-4-carboxylate Traditional Name: 3-isovaleryl-1-(1-naphthylmethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C(=O)CC(C)C)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C(=O)CC(C)C)CC2=CC=CC3=CC=CC=C32

InChI

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