N-[2-(4-methoxyphenyl)-2-oxidanyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-oxidanyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCCCO3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCCCO3)O

InChI

InChI=1S/C19H21NO5/c1-23-15-6-3-13(4-7-15)16(21)12-20-19(22)14-5-8-17-18(11-14)25-10-2-9-24-17/h3-8,11,16,21H,2,9-10,12H2,1H3,(H,20,22)