methyl 5-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC)Br

InChI

InChI=1S/C20H23BrN2O5/c1-26-17-6-4-14(12-16(17)21)19(24)23-9-3-8-22(10-11-23)13-15-5-7-18(28-15)20(25)27-2/h4-7,12H,3,8-11,13H2,1-2H3