tert-butyl 2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetate CAS Name: 2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetate Traditional Name: 2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetic acid tert-butyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)28-18(25)14-22-19(26)16-10-7-11-17(12-16)24-20(27)23-13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3,(H,22,26)(H2,23,24,27)