ethyl (4S)-2-cyano-4-(4-methoxyphenyl)-5-methyl-hexanoate

Systemtic Name: ethyl (4S)-2-cyano-4-(4-methoxyphenyl)-5-methyl-hexanoate Openeye Name: ethyl (4S)-2-cyano-4-(4-methoxyphenyl)-5-methyl-hexanoate CAS Name: (4S)-2-cyano-4-(4-methoxyphenyl)-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl (4S)-2-cyano-4-(4-methoxyphenyl)-5-methylhexanoate Traditional Name: (4S)-2-cyano-4-(4-methoxyphenyl)-5-methyl-hexanoic acid ethyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-5-21-17(19)14(11-18)10-16(12(2)3)13-6-8-15(20-4)9-7-13/h6-9,12,14,16H,5,10H2,1-4H3/t14?,16-/m0/s1