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

Systemtic Name: methyl 5-[[4-(2-chloranyl-3,4-dimethoxy-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-chloro-3,4-dimethoxy-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(2-chloro-3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-chloro-3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-chloro-3,4-dimethoxy-benzoyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H25ClN2O6 MolecularWeight: 436.886

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O6/c1-27-16-8-6-15(18(22)19(16)28-2)20(25)24-10-4-9-23(11-12-24)13-14-5-7-17(30-14)21(26)29-3/h5-8H,4,9-13H2,1-3H3