(3R,4R)-2,4-dimethyl-1-oxidanylidene-3-phenyl-3H-isoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-2,4-dimethyl-1-oxidanylidene-3-phenyl-3H-isoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2,4-dimethyl-1-oxo-3-phenyl-3H-isoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2,4-dimethyl-1-oxo-3-phenyl-3H-isoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2,4-dimethyl-1-oxo-3-phenyl-3H-isoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-2,4-dimethyl-3-phenyl-3H-isoquinoline-4-carboxylic acid Formula: C18H17NO3 MolecularWeight: 295.33248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[C@@]1([C@H](N(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-18(17(21)22)14-11-7-6-10-13(14)16(20)19(2)15(18)12-8-4-3-5-9-12/h3-11,15H,1-2H3,(H,21,22)/t15-,18-/m1/s1