propyl 4-[(5-bromanyl-2-butoxy-phenyl)carbonylamino]benzoate

Systemtic Name: propyl 4-[(5-bromanyl-2-butoxy-phenyl)carbonylamino]benzoate Openeye Name: propyl 4-[(5-bromo-2-butoxy-benzoyl)amino]benzoate CAS Name: 4-[[(5-bromo-2-butoxyphenyl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-bromo-2-butoxybenzoyl)amino]benzoate Traditional Name: 4-[(5-bromo-2-butoxy-benzoyl)amino]benzoic acid propyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C21H24BrNO4/c1-3-5-13-26-19-11-8-16(22)14-18(19)20(24)23-17-9-6-15(7-10-17)21(25)27-12-4-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24)