[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)ethanoate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)ethanoate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-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)C(C)OC(=O)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CC2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO4/c1-4-5-20(24)23-19-12-10-18(11-13-19)22(26)16(3)27-21(25)14-17-8-6-15(2)7-9-17/h6-13,16H,4-5,14H2,1-3H3,(H,23,24)/t16-/m0/s1