2-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]inden-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]inden-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]inden-1-one CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-indenone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]inden-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(homoveratrylamino)inden-1-one Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H23NO5/c1-29-20-9-7-16(13-22(20)30-2)11-12-27-25-18-5-3-4-6-19(18)26(28)24(25)17-8-10-21-23(14-17)32-15-31-21/h3-10,13-14,27H,11-12,15H2,1-2H3