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

Systemtic Name: butyl 4-[3-(2-bromanylbutanoylamino)propanoylamino]benzoate Openeye Name: butyl 4-[3-(2-bromobutanoylamino)propanoylamino]benzoate CAS Name: 4-[[3-[(2-bromo-1-oxobutyl)amino]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-bromobutanoylamino)propanoylamino]benzoate Traditional Name: 4-[3-(2-bromobutanoylamino)propanoylamino]benzoic acid butyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O4/c1-3-5-12-25-18(24)13-6-8-14(9-7-13)21-16(22)10-11-20-17(23)15(19)4-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,20,23)(H,21,22)