[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C18H19NO5/c20-14-11-16(24-15-8-4-3-7-13(14)15)18(22)23-12-17(21)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10,12H2