[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13(23-21(28)16-6-4-3-5-7-16)12-18(25)29-14(2)20(27)24-17-10-8-15(9-11-17)19(22)26/h3-11,13-14H,12H2,1-2H3,(H2,22,26)(H,23,28)(H,24,27)