methyl (3S)-3-(4-cyanophenyl)pentanoate

Systemtic Name: methyl (3S)-3-(4-cyanophenyl)pentanoate Openeye Name: methyl (3S)-3-(4-cyanophenyl)pentanoate CAS Name: (3S)-3-(4-cyanophenyl)pentanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-cyanophenyl)pentanoate Traditional Name: (3S)-3-(4-cyanophenyl)valeric acid methyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-3-11(8-13(15)16-2)12-6-4-10(9-14)5-7-12/h4-7,11H,3,8H2,1-2H3/t11-/m0/s1