methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]-methyl-amino]butanoate CAS Name: 4-[[[1-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]-methylamino]butanoate Traditional Name: 4-[[1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]-methyl-amino]butyric acid methyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-23(10-4-9-19(25)27-2)20(26)16-13-17(18-8-5-11-28-18)24(22-16)15-7-3-6-14(21)12-15/h3,5-8,11-13H,4,9-10H2,1-2H3