4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-keto-butyric acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2CN(CC3=CC=CC=C3)C(=O)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2CN(CC3=CC=CC=C3)C(=O)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c1-19-12-13-23(33-19)26-21(18-29(27-26)22-10-6-3-7-11-22)17-28(24(30)14-15-25(31)32)16-20-8-4-2-5-9-20/h2-13,18H,14-17H2,1H3,(H,31,32)