(4-benzamidophenyl) 3-(3-bromanyl-4-methoxy-phenyl)propanoate

Systemtic Name: (4-benzamidophenyl) 3-(3-bromanyl-4-methoxy-phenyl)propanoate Openeye Name: (4-benzamidophenyl) 3-(3-bromo-4-methoxy-phenyl)propanoate CAS Name: 3-(3-bromo-4-methoxyphenyl)propanoic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 3-(3-bromo-4-methoxyphenyl)propanoate Traditional Name: 3-(3-bromo-4-methoxy-phenyl)propionic acid (4-benzamidophenyl) ester Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

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