(2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid

Systemtic Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol; ethanedioic acid Openeye Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)chroman-7-ol; oxalic acid CAS Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-1-benzopyran-7-ol; oxalic acid IUPAC Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol; oxalic acid Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)chroman-7-ol; oxalic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)O)OC1CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)O)O[C@@H]1CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21NO2.C2H2O4/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20;3-1(4)2(5)6/h1-5,7,11,18,21H,6,8-10,12-13H2;(H,3,4)(H,5,6)/t18-;/m0./s1