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

Systemtic Name: dimethyl 5-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-bromo-5-methoxy-4-propoxybenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-bromo-5-methoxy-4-propoxy-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22BrNO7 MolecularWeight: 480.30588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C21H22BrNO7/c1-5-6-30-18-16(22)10-12(11-17(18)27-2)19(24)23-15-8-13(20(25)28-3)7-14(9-15)21(26)29-4/h7-11H,5-6H2,1-4H3,(H,23,24)