2,6-dimethyl-1-(1-thiophen-3-ylcyclopropyl)-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid

Systemtic Name: 2,6-dimethyl-1-(1-thiophen-3-ylcyclopropyl)-3,4-dihydro-1H-isoquinolin-7-ol; ethanedioic acid Openeye Name: 2,6-dimethyl-1-[1-(3-thienyl)cyclopropyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid CAS Name: 2,6-dimethyl-1-[1-(3-thiophenyl)cyclopropyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid IUPAC Name: 2,6-dimethyl-1-(1-thiophen-3-ylcyclopropyl)-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Traditional Name: 2,6-dimethyl-1-[1-(3-thienyl)cyclopropyl]-3,4-dihydro-1H-isoquinolin-7-ol; oxalic acid Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(N(CCC2=C1)C)C3(CC3)C4=CSC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C2C(N(CCC2=C1)C)C3(CC3)C4=CSC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NOS.C2H2O4/c1-12-9-13-3-7-19(2)17(15(13)10-16(12)20)18(5-6-18)14-4-8-21-11-14;3-1(4)2(5)6/h4,8-11,17,20H,3,5-7H2,1-2H3;(H,3,4)(H,5,6)