6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-homoveratryl-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C20H22ClNO5/c1-24-16-5-4-13(10-17(16)25-2)6-7-22-20(23)14-11-15(21)19-18(12-14)26-8-3-9-27-19/h4-5,10-12H,3,6-9H2,1-2H3,(H,22,23)