methyl 2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-4-methoxy-benzoate

Systemtic Name: methyl 2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-4-methoxy-benzoate Openeye Name: methyl 2-[2-(azepan-1-yl)-2-oxo-ethoxy]-4-methoxy-benzoate CAS Name: 2-[2-(1-azepanyl)-2-oxoethoxy]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(azepan-1-yl)-2-oxoethoxy]-4-methoxybenzoate Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethoxy]-4-methoxy-benzoic acid methyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OC)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OC)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H23NO5/c1-21-13-7-8-14(17(20)22-2)15(11-13)23-12-16(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3