tert-butyl 2-[[3-chloranyl-4-(phenylmethoxycarbonylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[3-chloranyl-4-(phenylmethoxycarbonylamino)phenyl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-(benzyloxycarbonylamino)-3-chloro-benzoyl]amino]acetate CAS Name: 2-[[[3-chloro-4-(phenylmethoxycarbonylamino)phenyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-chloro-4-(phenylmethoxycarbonylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-(benzyloxycarbonylamino)-3-chloro-benzoyl]amino]acetic acid tert-butyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)NC(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)NC(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H23ClN2O5/c1-21(2,3)29-18(25)12-23-19(26)15-9-10-17(16(22)11-15)24-20(27)28-13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27)