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

Systemtic Name: methyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(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=C(C=C1)C(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H24N2O4/c1-24-17(22)11-10-16(21)19-15-8-6-14(7-9-15)18(23)20-12-4-2-3-5-13-20/h6-9H,2-5,10-13H2,1H3,(H,19,21)