[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C21H24ClN3O4/c1-21(2,3)15-8-6-14(7-9-15)20(28)24-12-10-18(27)29-13-17(26)25-16-5-4-11-23-19(16)22/h4-9,11H,10,12-13H2,1-3H3,(H,24,28)(H,25,26)