2-(3,4-dimethoxyphenyl)ethanamine; 2-[1-(sulfanylmethyl)cyclopropyl]ethanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethanamine; 2-[1-(sulfanylmethyl)cyclopropyl]ethanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)ethanamine; 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid CAS Name: 2-(3,4-dimethoxyphenyl)ethanamine; 2-[1-(mercaptomethyl)cyclopropyl]acetic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine; 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid Traditional Name: homoveratrylamine; 2-[1-(mercaptomethyl)cyclopropyl]acetic acid Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN)OC.C1CC1(CC(=O)O)CS

Isomeric SMILES

COC1=C(C=C(C=C1)CCN)OC.C1CC1(CC(=O)O)CS

InChI

InChI=1S/C10H15NO2.C6H10O2S/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;7-5(8)3-6(4-9)1-2-6/h3-4,7H,5-6,11H2,1-2H3;9H,1-4H2,(H,7,8)