methyl 4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)NCCCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4/c1-14-10-11-17(27-14)19-16(20(25)21-12-6-9-18(24)26-2)13-23(22-19)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,25)