methyl 2-[4-(3-bromanylphenoxy)butanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[4-(3-bromanylphenoxy)butanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[4-(3-bromophenoxy)butanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-bromophenoxy)butanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[4-(3-bromophenoxy)butanoylamino]-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)C(=O)OC)NC(=O)CCCOC2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCOC2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C20H22BrNO6/c1-25-17-11-15(20(24)27-3)16(12-18(17)26-2)22-19(23)8-5-9-28-14-7-4-6-13(21)10-14/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,22,23)