[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2

InChI

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