(3S,4R)-1-oxidanylidene-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-1-oxidanylidene-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-1-oxo-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-1-oxo-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-3-phenyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H23NO6 MolecularWeight: 433.45322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO6/c1-30-19-13-16(14-20(31-2)23(19)32-3)26-22(15-9-5-4-6-10-15)21(25(28)29)17-11-7-8-12-18(17)24(26)27/h4-14,21-22H,1-3H3,(H,28,29)/t21-,22-/m1/s1