[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO4/c1-3-15(2)17-6-8-18(9-7-17)20(23)13-26-21(24)14-25-19-10-4-16(12-22)5-11-19/h4-11,15H,3,13-14H2,1-2H3/t15-/m0/s1