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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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