ethyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(azepane-1-carbonyl)anilino]-4-keto-butyric acid ethyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C19H26N2O4/c1-2-25-18(23)12-11-17(22)20-16-10-6-5-9-15(16)19(24)21-13-7-3-4-8-14-21/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,20,22)