4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid

Systemtic Name: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid Openeye Name: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid CAS Name: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid IUPAC Name: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid Traditional Name: 4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)benzoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C20H23NO4/c1-3-24-17-11-15-9-10-21-19(16(15)12-18(17)25-4-2)13-5-7-14(8-6-13)20(22)23/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3,(H,22,23)