ethyl (E)-3-[[1-[(4-tert-butylphenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[1-[(4-tert-butylphenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[1-[(4-tert-butylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-6-27-19(25)13-15(2)22-20(26)18-11-12-24(23-18)14-28-17-9-7-16(8-10-17)21(3,4)5/h7-13H,6,14H2,1-5H3,(H,22,26)/b15-13+