ethyl 3-methyl-2-(2-oxidanylideneazepan-1-yl)carbonyl-2-phenylmethoxy-butanoate

Systemtic Name: ethyl 3-methyl-2-(2-oxidanylideneazepan-1-yl)carbonyl-2-phenylmethoxy-butanoate Openeye Name: ethyl 2-benzyloxy-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate CAS Name: 3-methyl-2-[oxo-(2-oxo-1-azepanyl)methyl]-2-phenylmethoxybutanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybutanoate Traditional Name: 2-benzoxy-2-(2-ketoazepane-1-carbonyl)-3-methyl-butyric acid ethyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)(C(=O)N1CCCCCC1=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(C)C)(C(=O)N1CCCCCC1=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO5/c1-4-26-20(25)21(16(2)3,27-15-17-11-7-5-8-12-17)19(24)22-14-10-6-9-13-18(22)23/h5,7-8,11-12,16H,4,6,9-10,13-15H2,1-3H3