[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-3-14(2)22-21(28)24-18(25)13-29-20(27)16-11-7-8-12-17(16)23-19(26)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,23,26)(H2,22,24,25,28)/t14-/m0/s1