2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(5-methylthiophen-2-yl)ethanol; ethanedioic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(5-methylthiophen-2-yl)ethanol; ethanedioic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(5-methyl-2-thienyl)ethanol; oxalic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(5-methyl-2-thiophenyl)ethanol; oxalic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(5-methylthiophen-2-yl)ethanol; oxalic acid Traditional Name: 2-[homoveratryl(methyl)amino]-1-(5-methyl-2-thienyl)ethanol; oxalic acid Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(CN(C)CCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(S1)C(CN(C)CCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NO3S.C2H2O4/c1-13-5-8-18(23-13)15(20)12-19(2)10-9-14-6-7-16(21-3)17(11-14)22-4;3-1(4)2(5)6/h5-8,11,15,20H,9-10,12H2,1-4H3;(H,3,4)(H,5,6)