N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

Systemtic Name: N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine Openeye Name: N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine CAS Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine IUPAC Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine Traditional Name: (3-chloro-4,5-dimethoxy-benzyl)-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amine Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2COC3=CC=CC=C3O2)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2COC3=CC=CC=C3O2)Cl)OC

InChI

InChI=1S/C18H20ClNO4/c1-21-17-8-12(7-14(19)18(17)22-2)9-20-10-13-11-23-15-5-3-4-6-16(15)24-13/h3-8,13,20H,9-11H2,1-2H3