[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(4-acetyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)acetic acid [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)COC2=C(C=C(C=C2)C(=O)C)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)COC2=C(C=C(C=C2)C(=O)C)OC

InChI

InChI=1S/C21H20N2O6/c1-13(24)15-8-9-18(19(10-15)27-3)28-12-20(25)29-14(2)21(26)23-17-7-5-4-6-16(17)11-22/h4-10,14H,12H2,1-3H3,(H,23,26)/t14-/m0/s1