[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-benzamidobutanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-benzamidobutanoate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)CCCNC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)CCCNC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H25N3O5/c1-15-10-11-18(13-16(15)2)24-22(29)25-19(26)14-30-20(27)9-6-12-23-21(28)17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,23,28)(H2,24,25,26,29)