methyl 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)Br

InChI

InChI=1S/C20H22BrNO6/c1-25-16-7-5-12(9-14(16)21)6-8-19(23)22-15-11-18(27-3)17(26-2)10-13(15)20(24)28-4/h5,7,9-11H,6,8H2,1-4H3,(H,22,23)