methyl 4-[[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3-bromo-5-methoxy-4-propoxy-benzoyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-bromo-5-methoxy-4-propoxybenzoyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(3-bromo-5-methoxy-4-propoxy-benzoyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C21H24BrNO5/c1-5-10-28-19-17(22)11-16(12-18(19)26-3)20(24)23(2)13-14-6-8-15(9-7-14)21(25)27-4/h6-9,11-12H,5,10,13H2,1-4H3