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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methylthiophen-2-yl)ethanol; ethanedioic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methyl-2-thienyl)ethanol; oxalic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methyl-2-thiophenyl)ethanol; oxalic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(5-methylthiophen-2-yl)ethanol; oxalic acid Traditional Name: 2-(homoveratrylamino)-1-(5-methyl-2-thienyl)ethanol; oxalic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(CNCCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(S1)C(CNCCC2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23NO3S.C2H2O4/c1-12-4-7-17(22-12)14(19)11-18-9-8-13-5-6-15(20-2)16(10-13)21-3;3-1(4)2(5)6/h4-7,10,14,18-19H,8-9,11H2,1-3H3;(H,3,4)(H,5,6)