[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-benzamidobutanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCCNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-3-17-11-13-18(14-12-17)21(25)16(2)27-20(24)10-7-15-23-22(26)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,23,26)