dimethyl 5-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-acetamidobenzyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H30N4O6 MolecularWeight: 482.5289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H30N4O6/c1-17(30)26-21-7-5-18(6-8-21)16-28-9-4-10-29(12-11-28)25(33)27-22-14-19(23(31)34-2)13-20(15-22)24(32)35-3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,26,30)(H,27,33)