3-[(2-fluorophenyl)methyl]-1-(2-oxidanylidene-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid

Systemtic Name: 3-[(2-fluorophenyl)methyl]-1-(2-oxidanylidene-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid Openeye Name: 3-[(2-fluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid CAS Name: 3-[(2-fluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)-2-benzo[e]indolecarboxylic acid IUPAC Name: 3-[(2-fluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxylic acid Traditional Name: 3-(2-fluorobenzyl)-1-(2-keto-1H-pyridin-3-yl)benz[e]indole-2-carboxylic acid Formula: C25H17FN2O3 MolecularWeight: 412.412483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=C(N3CC4=CC=CC=C4F)C(=O)O)C5=CC=CNC5=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=C(N3CC4=CC=CC=C4F)C(=O)O)C5=CC=CNC5=O

InChI

InChI=1S/C25H17FN2O3/c26-19-10-4-2-7-16(19)14-28-20-12-11-15-6-1-3-8-17(15)21(20)22(23(28)25(30)31)18-9-5-13-27-24(18)29/h1-13H,14H2,(H,27,29)(H,30,31)