[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-3-8-21(25)23-18-13-11-17(12-14-18)20(24)15-27-22(26)19(4-2)16-9-6-5-7-10-16/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H,23,25)/t19-/m1/s1