butyl 4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamoylamino]benzoate Openeye Name: butyl 4-[2-(5-bromo-2-methoxy-phenyl)ethylcarbamoylamino]benzoate CAS Name: 4-[[[2-(5-bromo-2-methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(5-bromo-2-methoxyphenyl)ethylcarbamoylamino]benzoate Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethylcarbamoylamino]benzoic acid butyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H25BrN2O4/c1-3-4-13-28-20(25)15-5-8-18(9-6-15)24-21(26)23-12-11-16-14-17(22)7-10-19(16)27-2/h5-10,14H,3-4,11-13H2,1-2H3,(H2,23,24,26)