2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,3-dihydrobenzofuran-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2,3-dihydrobenzofuran-5-ylmethyl)-6-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(coumaran-5-ylmethyl)-1-keto-6-methyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H21NO4 MolecularWeight: 411.44924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H21NO4/c1-16-7-9-20-21(13-16)23(18-5-3-2-4-6-18)24(26(29)30)27(25(20)28)15-17-8-10-22-19(14-17)11-12-31-22/h2-10,13-14H,11-12,15H2,1H3,(H,29,30)