methyl 4-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-phenethyloxy-benzoyl)amino]benzoate CAS Name: 4-[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-phenethyloxybenzoyl)amino]benzoate Traditional Name: 4-[(5-bromo-2-phenethyloxy-benzoyl)amino]benzoic acid methyl ester Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrNO4/c1-28-23(27)17-7-10-19(11-8-17)25-22(26)20-15-18(24)9-12-21(20)29-14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,25,26)