N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-homoveratryl-amine Formula: C20H24ClNO4 MolecularWeight: 377.86186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C(=C2)Cl)OCCCO3)OC

InChI

InChI=1S/C20H24ClNO4/c1-23-17-5-4-14(11-18(17)24-2)6-7-22-13-15-10-16(21)20-19(12-15)25-8-3-9-26-20/h4-5,10-12,22H,3,6-9,13H2,1-2H3