N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethoxyphenyl)methanamine

Systemtic Name: N-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethoxyphenyl)methanamine Openeye Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethoxyphenyl)methanamine CAS Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethoxyphenyl)methanamine IUPAC Name: N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethoxyphenyl)methanamine Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)methyl-veratryl-amine Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC3=C(C(=C2)Cl)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC3=C(C(=C2)Cl)OCO3)OC

InChI

InChI=1S/C17H18ClNO4/c1-20-14-4-3-11(6-15(14)21-2)8-19-9-12-5-13(18)17-16(7-12)22-10-23-17/h3-7,19H,8-10H2,1-2H3