dimethyl 5-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3-bromo-4-methoxyphenyl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20BrNO6 MolecularWeight: 450.2799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C20H20BrNO6/c1-26-17-6-4-12(8-16(17)21)5-7-18(23)22-15-10-13(19(24)27-2)9-14(11-15)20(25)28-3/h4,6,8-11H,5,7H2,1-3H3,(H,22,23)