ethyl 2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-29-23(28)20-11-6-7-12-21(20)24-22(27)18-26-14-8-13-25(15-16-26)17-19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3,(H,24,27)