methyl 4-[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-bromanyl-4-hexoxy-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-hexoxy-benzoyl)amino]benzoate CAS Name: 4-[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate Traditional Name: 4-[(3-bromo-4-hexoxy-benzoyl)amino]benzoic acid methyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C21H24BrNO4/c1-3-4-5-6-13-27-19-12-9-16(14-18(19)22)20(24)23-17-10-7-15(8-11-17)21(25)26-2/h7-12,14H,3-6,13H2,1-2H3,(H,23,24)