6-chloranyl-4-(4-fluorophenyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-(4-fluorophenyl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylic acid Openeye Name: 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-4-(4-fluorophenyl)-1-oxo-2-(phenylmethyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-keto-isoquinoline-3-carboxylic acid Formula: C23H15ClFNO3 MolecularWeight: 407.821503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C23H15ClFNO3/c24-16-8-11-18-19(12-16)20(15-6-9-17(25)10-7-15)21(23(28)29)26(22(18)27)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,28,29)