propyl 4-[[5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]benzoic acid propyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C21H22ClN3O4/c1-4-11-28-21(27)15-5-7-16(8-6-15)23-20(26)18-10-9-17(29-18)12-25-14(3)19(22)13(2)24-25/h5-10H,4,11-12H2,1-3H3,(H,23,26)