2-ethoxycarbonyl-7-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-6-oxidanyl-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 2-ethoxycarbonyl-7-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-6-oxidanyl-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 2-ethoxycarbonyl-6-hydroxy-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 2-ethoxycarbonyl-6-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 2-ethoxycarbonyl-6-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-carbethoxy-6-hydroxy-1-(3-hydroxy-4-methoxy-benzyl)-7-methoxy-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C22H25NO8 MolecularWeight: 431.4358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC(=C(C=C3)OC)O)C(=O)O)OC)O

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1(CC3=CC(=C(C=C3)OC)O)C(=O)O)OC)O

InChI

InChI=1S/C22H25NO8/c1-4-31-21(28)23-8-7-14-10-17(25)19(30-3)11-15(14)22(23,20(26)27)12-13-5-6-18(29-2)16(24)9-13/h5-6,9-11,24-25H,4,7-8,12H2,1-3H3,(H,26,27)