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

Systemtic Name: methyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[2-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[2-(azepane-1-carbonyl)anilino]-4-keto-butyric acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-24-17(22)11-10-16(21)19-15-9-5-4-8-14(15)18(23)20-12-6-2-3-7-13-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,19,21)