[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-15-7-5-6-10-17(15)20(27)22-12-11-19(26)29-14-18(25)24-21(28)23-13-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,22,27)(H2,23,24,25,28)