[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H19N3O5/c24-14-17-8-4-9-18(12-17)25-21(27)15-31-23(29)19(13-16-6-2-1-3-7-16)26-22(28)20-10-5-11-30-20/h1-12,19H,13,15H2,(H,25,27)(H,26,28)/t19-/m0/s1