1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(1H-imidazol-2-yl)-4-thiophen-2-yl-phenoxy]propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(1H-imidazol-2-yl)-4-thiophen-2-yl-phenoxy]propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(1H-imidazol-2-yl)-4-(2-thienyl)phenoxy]propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(1H-imidazol-2-yl)-4-thiophen-2-ylphenoxy]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(1H-imidazol-2-yl)-4-thiophen-2-ylphenoxy]propan-2-ol Traditional Name: 1-(homoveratrylamino)-3-[2-(1H-imidazol-2-yl)-4-(2-thienyl)phenoxy]propan-2-ol Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=C(C=C2)C3=CC=CS3)C4=NC=CN4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C=C(C=C2)C3=CC=CS3)C4=NC=CN4)O)OC

InChI

InChI=1S/C26H29N3O4S/c1-31-23-7-5-18(14-24(23)32-2)9-10-27-16-20(30)17-33-22-8-6-19(25-4-3-13-34-25)15-21(22)26-28-11-12-29-26/h3-8,11-15,20,27,30H,9-10,16-17H2,1-2H3,(H,28,29)