[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-methyl-benzoate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-methyl-benzoate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 2-methoxy-5-methyl-benzoate CAS Name: 2-methoxy-5-methylbenzoic 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-methoxy-5-methylbenzoate Traditional Name: 2-methoxy-5-methyl-benzoic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-5-6-20(24)23-17-10-8-16(9-11-17)21(25)15(3)28-22(26)18-13-14(2)7-12-19(18)27-4/h7-13,15H,5-6H2,1-4H3,(H,23,24)/t15-/m0/s1