(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4/c1-18-21(16-27)23(30(29-18)20-11-6-3-7-12-20)17-34-26(32)22(15-19-9-4-2-5-10-19)28-25(31)24-13-8-14-33-24/h2-14,22H,15,17H2,1H3,(H,28,31)/t22-/m0/s1