3-[4-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,2-benzoxazol-3-yl]propan-1-amine

Systemtic Name: 3-[4-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,2-benzoxazol-3-yl]propan-1-amine Openeye Name: 3-[4-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,2-benzoxazol-3-yl]propan-1-amine CAS Name: 3-[4-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,2-benzoxazol-3-yl]-1-propanamine IUPAC Name: 3-[4-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethoxy-1,2-benzoxazol-3-yl]propan-1-amine Traditional Name: 3-(4-homoveratryl-5,6-dimethoxy-indoxazen-3-yl)propylamine Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=C2OC)OC)ON=C3CCCN)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=C2OC)OC)ON=C3CCCN)OC

InChI

InChI=1S/C22H28N2O5/c1-25-17-10-8-14(12-18(17)26-2)7-9-15-21-16(6-5-11-23)24-29-19(21)13-20(27-3)22(15)28-4/h8,10,12-13H,5-7,9,11,23H2,1-4H3