dimethyl 5-[2-(3-bromanyl-4-methoxy-phenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-bromanyl-4-methoxy-phenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(3-bromo-4-methoxy-phenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(3-bromo-4-methoxyphenyl)ethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(3-bromo-4-methoxyphenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(3-bromo-4-methoxy-phenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O6/c1-27-17-5-4-12(8-16(17)21)6-7-22-20(26)23-15-10-13(18(24)28-2)9-14(11-15)19(25)29-3/h4-5,8-11H,6-7H2,1-3H3,(H2,22,23,26)