ethyl 5-azanyl-1-[2-(2,4-ditert-butylphenoxy)ethanoyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(2,4-ditert-butylphenoxy)ethanoyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-(2,4-ditert-butylphenoxy)acetyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(2,4-ditert-butylphenoxy)acetyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(2,4-ditert-butylphenoxy)acetyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)COC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)N

InChI

InChI=1S/C22H31N3O4/c1-8-28-20(27)15-12-24-25(19(15)23)18(26)13-29-17-10-9-14(21(2,3)4)11-16(17)22(5,6)7/h9-12H,8,13,23H2,1-7H3