(3S,4S)-6,7-dimethoxy-1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-6,7-dimethoxy-1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-benzyl-6,7-dimethoxy-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-6,7-dimethoxy-1-oxo-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-benzyl-6,7-dimethoxy-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-benzyl-1-keto-6,7-dimethoxy-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H23NO5 MolecularWeight: 417.45382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H]([C@H](N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C25H23NO5/c1-30-20-13-18-19(14-21(20)31-2)24(27)26(15-16-9-5-3-6-10-16)23(22(18)25(28)29)17-11-7-4-8-12-17/h3-14,22-23H,15H2,1-2H3,(H,28,29)/t22-,23+/m0/s1