methyl 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-oxidanylidene-oxan-4-yl]ethanoate

Systemtic Name: methyl 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-oxidanylidene-oxan-4-yl]ethanoate Openeye Name: methyl 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-oxo-tetrahydropyran-4-yl]acetate CAS Name: 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-oxo-4-oxanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-oxooxan-4-yl]acetate Traditional Name: 2-[(2S,4S)-2-[4-(4-cyanophenyl)butyl]-6-keto-tetrahydropyran-4-yl]acetic acid methyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C[C@@H]1C[C@@H](OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H23NO4/c1-23-18(21)11-16-10-17(24-19(22)12-16)5-3-2-4-14-6-8-15(13-20)9-7-14/h6-9,16-17H,2-5,10-12H2,1H3/t16-,17-/m0/s1