ethanedioic acid; 2-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-(4-methoxy-2,5-dimethyl-benzyl)-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCC3=CC=CC=C3C2)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCC3=CC=CC=C3C2)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO.C2H2O4/c1-14-11-19(21-3)15(2)10-18(14)13-20-9-8-16-6-4-5-7-17(16)12-20;3-1(4)2(5)6/h4-7,10-11H,8-9,12-13H2,1-3H3;(H,3,4)(H,5,6)