2-ethylhexyl 4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C24H39N3O3 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C24H39N3O3/c1-3-5-10-21(4-2)20-30-24(29)27-16-9-15-26(17-18-27)19-23(28)25-14-13-22-11-7-6-8-12-22/h6-8,11-12,21H,3-5,9-10,13-20H2,1-2H3,(H,25,28)