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

Systemtic Name: dimethyl 5-[[4-(azepan-1-ylmethyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1-azepanylmethyl)phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(azepan-1-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)C(=O)OC

InChI

InChI=1S/C24H28N2O5/c1-30-23(28)19-13-20(24(29)31-2)15-21(14-19)25-22(27)18-9-7-17(8-10-18)16-26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,25,27)