ethyl (E,4R,6S)-4-(cyanomethyl)-6-oxidanyl-6-phenyl-hex-2-enoate

Systemtic Name: ethyl (E,4R,6S)-4-(cyanomethyl)-6-oxidanyl-6-phenyl-hex-2-enoate Openeye Name: ethyl (E,4R,6S)-4-(cyanomethyl)-6-hydroxy-6-phenyl-hex-2-enoate CAS Name: (E,4R,6S)-4-(cyanomethyl)-6-hydroxy-6-phenyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,6S)-4-(cyanomethyl)-6-hydroxy-6-phenylhex-2-enoate Traditional Name: (E,4R,6S)-4-(cyanomethyl)-6-hydroxy-6-phenyl-hex-2-enoic acid ethyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-2-20-16(19)9-8-13(10-11-17)12-15(18)14-6-4-3-5-7-14/h3-9,13,15,18H,2,10,12H2,1H3/b9-8+/t13-,15+/m1/s1