dimethyl 5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H29N3O5/c1-31-23(29)19-13-20(24(30)32-2)15-21(14-19)25-22(28)17-27-10-6-9-26(11-12-27)16-18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12,16-17H2,1-2H3,(H,25,28)