2-[(4-chlorophenyl)methyl]-3-(6-fluoranyl-1H-indol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-(6-fluoranyl-1H-indol-3-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-(6-fluoro-1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-(6-fluoro-1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-(6-fluoro-1H-indol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-(6-fluoro-1H-indol-3-yl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C25H18ClFN2O3 MolecularWeight: 448.873423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CNC5=C4C=CC(=C5)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(N(C2=O)CC3=CC=C(C=C3)Cl)C4=CNC5=C4C=CC(=C5)F)C(=O)O

InChI

InChI=1S/C25H18ClFN2O3/c26-15-7-5-14(6-8-15)13-29-23(20-12-28-21-11-16(27)9-10-17(20)21)22(25(31)32)18-3-1-2-4-19(18)24(29)30/h1-12,22-23,28H,13H2,(H,31,32)