dimethyl 4-(4-chlorophenyl)carbonyl-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylate

Systemtic Name: dimethyl 4-(4-chlorophenyl)carbonyl-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylate Openeye Name: dimethyl 4-(4-chlorobenzoyl)-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylate CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-chlorobenzoyl)-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylate Traditional Name: 4-(4-chlorobenzoyl)-5-[4-(methylamino)butyl]cyclopentane-1,3-dicarboxylic acid dimethyl ester Formula: C21H23ClNO5 MolecularWeight: 404.86402

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC[C]1[C]([CH][C]([C]1C(=O)C2=CC=C(C=C2)Cl)C(=O)OC)C(=O)OC

Isomeric SMILES

CNCCCC[C]1[C]([CH][C]([C]1C(=O)C2=CC=C(C=C2)Cl)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H23ClNO5/c1-23-11-5-4-6-15-16(20(25)27-2)12-17(21(26)28-3)18(15)19(24)13-7-9-14(22)10-8-13/h7-10,12,23H,4-6,11H2,1-3H3