ethanedioic acid; 2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[2-(4-allyl-2-methoxy-phenoxy)ethyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C23H27NO6 MolecularWeight: 413.46358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCN2CCC3=CC=CC=C3C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCN2CCC3=CC=CC=C3C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO2.C2H2O4/c1-3-6-17-9-10-20(21(15-17)23-2)24-14-13-22-12-11-18-7-4-5-8-19(18)16-22;3-1(4)2(5)6/h3-5,7-10,15H,1,6,11-14,16H2,2H3;(H,3,4)(H,5,6)