butyl 4-[3-(2-chloranylethanoylamino)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(2-chloranylethanoylamino)propanoylamino]benzoate Openeye Name: butyl 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[(2-chloro-1-oxoethyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(2-chloroacetyl)amino]propanoylamino]benzoic acid butyl ester Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)CCl

InChI

InChI=1S/C16H21ClN2O4/c1-2-3-10-23-16(22)12-4-6-13(7-5-12)19-14(20)8-9-18-15(21)11-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)