tert-butyl (5S)-5-(4-methoxyphenyl)-3-methyl-5-oxidanyl-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl (5S)-5-(4-methoxyphenyl)-3-methyl-5-oxidanyl-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=C(C=C2)OC)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN([C@](C1)(C2=CC=C(C=C2)OC)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O4/c1-11-10-16(20,12-6-8-13(21-5)9-7-12)18(17-11)14(19)22-15(2,3)4/h6-9,20H,10H2,1-5H3/t16-/m0/s1