ethyl (E)-7-azanyl-4-[[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-4-[[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E)-7-amino-4-[(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)amino]-7-oxo-hept-2-enoate CAS Name: (E)-7-amino-4-[[[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-4-[(2-benzyl-5-tert-butylpyrazole-3-carbonyl)amino]-7-oxohept-2-enoate Traditional Name: (E)-7-amino-4-[(2-benzyl-5-tert-butyl-pyrazole-3-carbonyl)amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C24H32N4O4/c1-5-32-22(30)14-12-18(11-13-21(25)29)26-23(31)19-15-20(24(2,3)4)27-28(19)16-17-9-7-6-8-10-17/h6-10,12,14-15,18H,5,11,13,16H2,1-4H3,(H2,25,29)(H,26,31)/b14-12+