1-[[6,7-bis(azanyl)-2,3-dihydro-1H-inden-5-yl]oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol

Systemtic Name: 1-[[6,7-bis(azanyl)-2,3-dihydro-1H-inden-5-yl]oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Openeye Name: 1-(6,7-diaminoindan-5-yl)oxy-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol CAS Name: 1-[(6,7-diamino-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propanol IUPAC Name: 1-[(6,7-diamino-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Traditional Name: 1-(6,7-diaminoindan-5-yl)oxy-3-(homoveratrylamino)propan-2-ol Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C(=C3CCCC3=C2)N)N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C(=C3CCCC3=C2)N)N)O)OC

InChI

InChI=1S/C22H31N3O4/c1-27-18-7-6-14(10-19(18)28-2)8-9-25-12-16(26)13-29-20-11-15-4-3-5-17(15)21(23)22(20)24/h6-7,10-11,16,25-26H,3-5,8-9,12-13,23-24H2,1-2H3