ethyl (Z)-4-aminocarbonyl-3-azanyl-2-cyano-6-oxidanyl-5-phenyl-hex-2-enoate

Systemtic Name: ethyl (Z)-4-aminocarbonyl-3-azanyl-2-cyano-6-oxidanyl-5-phenyl-hex-2-enoate Openeye Name: ethyl (Z)-3-amino-4-carbamoyl-2-cyano-6-hydroxy-5-phenyl-hex-2-enoate CAS Name: (Z)-3-amino-4-carbamoyl-2-cyano-6-hydroxy-5-phenyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-amino-4-carbamoyl-2-cyano-6-hydroxy-5-phenylhex-2-enoate Traditional Name: (Z)-3-amino-4-carbamoyl-2-cyano-6-hydroxy-5-phenyl-hex-2-enoic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(C(CO)C1=CC=CC=C1)C(=O)N)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/C(C(CO)C1=CC=CC=C1)C(=O)N)\N)/C#N

InChI

InChI=1S/C16H19N3O4/c1-2-23-16(22)11(8-17)14(18)13(15(19)21)12(9-20)10-6-4-3-5-7-10/h3-7,12-13,20H,2,9,18H2,1H3,(H2,19,21)/b14-11-