[4-(2-cyanophenyl)phenyl]methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [4-(2-cyanophenyl)benzyl] ester Formula: C28H22N2O4 MolecularWeight: 450.48528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)NC(=O)C4=CC=CO4

InChI

InChI=1S/C28H22N2O4/c29-18-23-9-4-5-10-24(23)22-14-12-21(13-15-22)19-34-28(32)25(17-20-7-2-1-3-8-20)30-27(31)26-11-6-16-33-26/h1-16,25H,17,19H2,(H,30,31)/t25-/m0/s1