2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoic acid hydrate

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoic acid hydrate Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid hydrate CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid hydrate IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid hydrate Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid hydrate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CC(=O)O)OC.O

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CC(=O)O)OC.O

InChI

InChI=1S/C13H17NO4.H2O/c1-17-11-5-8-3-4-14-10(7-13(15)16)9(8)6-12(11)18-2;/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,16);1H2