(3R,4R)-3-(3-fluorophenyl)-4-methyl-1-oxidanylidene-2-(phenylmethyl)-3H-isoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-(3-fluorophenyl)-4-methyl-1-oxidanylidene-2-(phenylmethyl)-3H-isoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-benzyl-3-(3-fluorophenyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid CAS Name: (3R,4R)-3-(3-fluorophenyl)-4-methyl-1-oxo-2-(phenylmethyl)-3H-isoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-benzyl-3-(3-fluorophenyl)-4-methyl-1-oxo-3H-isoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-benzyl-3-(3-fluorophenyl)-1-keto-4-methyl-3H-isoquinoline-4-carboxylic acid Formula: C24H20FNO3 MolecularWeight: 389.418903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

C[C@@]1([C@H](N(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC(=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H20FNO3/c1-24(23(28)29)20-13-6-5-12-19(20)22(27)26(15-16-8-3-2-4-9-16)21(24)17-10-7-11-18(25)14-17/h2-14,21H,15H2,1H3,(H,28,29)/t21-,24-/m1/s1