methyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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