(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H20ClNO5/c18-14-6-12-9-22-11-24-17(12)13(7-14)10-23-16(21)8-19-5-3-1-2-4-15(19)20/h6-7H,1-5,8-11H2