methyl 2-[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[5-(2-furanyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C21H23N3O4/c1-14(2)12-17(21(26)27-3)22-20(25)18-13-16(19-10-7-11-28-19)23-24(18)15-8-5-4-6-9-15/h4-11,13-14,17H,12H2,1-3H3,(H,22,25)