ethanedioic acid; ethyl 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; ethyl 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester; oxalic acid Formula: C25H31NO10 MolecularWeight: 505.51434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC(=C(C=C3C2)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CN2CCC3=CC(=C(C=C3C2)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO6.C2H2O4/c1-4-29-23(26)16-5-7-20(8-6-16)30-15-19(25)14-24-10-9-17-11-21(27-2)22(28-3)12-18(17)13-24;3-1(4)2(5)6/h5-8,11-12,19,25H,4,9-10,13-15H2,1-3H3;(H,3,4)(H,5,6)