dimethyl 5-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(1-pyrrolidinylmethyl)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(pyrrolidinomethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3)C(=O)OC

InChI

InChI=1S/C22H24N2O5/c1-28-21(26)17-11-18(22(27)29-2)13-19(12-17)23-20(25)16-7-5-15(6-8-16)14-24-9-3-4-10-24/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,23,25)