[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C(=CC=C2)OC)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C(=CC=C2)OC)O

InChI

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