ethyl (E,3S,4R)-3-acetyloxy-4-(cyanomethyl)-6-phenyl-hex-5-enoate

Systemtic Name: ethyl (E,3S,4R)-3-acetyloxy-4-(cyanomethyl)-6-phenyl-hex-5-enoate Openeye Name: ethyl (E,3S,4R)-3-acetoxy-4-(cyanomethyl)-6-phenyl-hex-5-enoate CAS Name: (E,3S,4R)-3-acetyloxy-4-(cyanomethyl)-6-phenyl-5-hexenoic acid ethyl ester IUPAC Name: ethyl (E,3S,4R)-3-acetyloxy-4-(cyanomethyl)-6-phenylhex-5-enoate Traditional Name: (E,3S,4R)-3-acetoxy-4-(cyanomethyl)-6-phenyl-hex-5-enoic acid ethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC#N)C=CC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCOC(=O)C[C@@H]([C@H](CC#N)/C=C/C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C18H21NO4/c1-3-22-18(21)13-17(23-14(2)20)16(11-12-19)10-9-15-7-5-4-6-8-15/h4-10,16-17H,3,11,13H2,1-2H3/b10-9+/t16-,17-/m0/s1