ethyl 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)nipecotic acid ethyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H22ClNO5/c1-2-23-18(22)12-5-3-6-20(11-12)17(21)13-9-14(19)16-15(10-13)24-7-4-8-25-16/h9-10,12H,2-8,11H2,1H3