methyl (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-4H-pyrazole-3-carboxylate Openeye Name: methyl (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-4H-pyrazole-3-carboxylate CAS Name: (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-4H-pyrazole-3-carboxylate Traditional Name: (3S,4S)-4-(4-methoxyphenyl)-3,5,5-trimethyl-1-pyrazoline-3-carboxylic acid methyl ester Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(N=N1)(C)C(=O)OC)C2=CC=C(C=C2)OC)C

Isomeric SMILES

C[C@]1([C@H](C(N=N1)(C)C)C2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C15H20N2O3/c1-14(2)12(10-6-8-11(19-4)9-7-10)15(3,17-16-14)13(18)20-5/h6-9,12H,1-5H3/t12-,15-/m0/s1