4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenyl-acetic acid CAS Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenylacetic acid IUPAC Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenylacetic acid Traditional Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; madelic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C19H23NO3.C8H8O3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13;9-7(8(10)11)6-4-2-1-3-5-6/h4-7,11-12,17,21H,8-10H2,1-3H3;1-5,7,9H,(H,10,11)