methyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-(2,2-dicyanoethenyl)-2-hydroxyphenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(2,2-dicyanoethenyl)-2-hydroxybenzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(2,2-dicyanovinyl)-2-hydroxy-benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C=C(C#N)C#N)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C=C(C#N)C#N)O

InChI

InChI=1S/C21H17N3O4/c1-28-21(27)18(11-14-5-3-2-4-6-14)24-20(26)17-10-15(7-8-19(17)25)9-16(12-22)13-23/h2-10,18,25H,11H2,1H3,(H,24,26)/t18-/m0/s1