[(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)benzoate

Systemtic Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)benzoate Openeye Name: [(1S)-2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [(2S)-1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [(1S)-2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-5-6-20(25)23-18-11-7-16(8-12-18)21(26)15(2)28-22(27)17-9-13-19(14-10-17)24(3)4/h7-15H,5-6H2,1-4H3,(H,23,25)/t15-/m0/s1