methyl 3-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-(azepane-1-carbonyl)anilino]-3-oxo-propanoate CAS Name: 3-[2-[1-azepanyl(oxo)methyl]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-(azepane-1-carbonyl)anilino]-3-oxopropanoate Traditional Name: 3-[2-(azepane-1-carbonyl)anilino]-3-keto-propionic acid methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-23-16(21)12-15(20)18-14-9-5-4-8-13(14)17(22)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20)