1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(COC3=C(C=C(C=C3)CC=C)OC)O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC(COC3=C(C=C(C=C3)CC=C)OC)O)C4=CC=CS4)OC

InChI

InChI=1S/C28H33NO5S/c1-5-7-19-9-10-23(24(14-19)31-2)34-18-21(30)17-29-12-11-20-15-25(32-3)26(33-4)16-22(20)28(29)27-8-6-13-35-27/h5-6,8-10,13-16,21,28,30H,1,7,11-12,17-18H2,2-4H3