N-[[3-[(2,4-dimethoxyphenyl)-pyridin-3-yl-methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine

Systemtic Name: N-[[3-[(2,4-dimethoxyphenyl)-pyridin-3-yl-methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine Openeye Name: N-[[3-[(2,4-dimethoxyphenyl)-(3-pyridyl)methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine CAS Name: N-[[3-[(2,4-dimethoxyphenyl)-(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine IUPAC Name: N-[[3-[(2,4-dimethoxyphenyl)-pyridin-3-ylmethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine Traditional Name: [3-[(2,4-dimethoxyphenyl)-(3-pyridyl)methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methyl-ethyl-amine Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1C(OC2=CC=CC=C2O1)C(C3=CN=CC=C3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCNCC1C(OC2=CC=CC=C2O1)C(C3=CN=CC=C3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-4-26-16-23-25(31-21-10-6-5-9-20(21)30-23)24(17-8-7-13-27-15-17)19-12-11-18(28-2)14-22(19)29-3/h5-15,23-26H,4,16H2,1-3H3