1-[[5-(aminomethyl)-2-fluoranyl-phenyl]methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 1-[[5-(aminomethyl)-2-fluoranyl-phenyl]methyl]-5-ethyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[[5-(aminomethyl)-2-fluoro-phenyl]methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-[5-(aminomethyl)-2-fluoro-benzyl]-5-ethyl-3-(2-keto-1H-pyridin-3-yl)indole-2-carboxylic acid Formula: C24H22FN3O3 MolecularWeight: 419.448183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=C(C=CC(=C4)CN)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=C2C3=CC=CNC3=O)C(=O)O)CC4=C(C=CC(=C4)CN)F

InChI

InChI=1S/C24H22FN3O3/c1-2-14-6-8-20-18(11-14)21(17-4-3-9-27-23(17)29)22(24(30)31)28(20)13-16-10-15(12-26)5-7-19(16)25/h3-11H,2,12-13,26H2,1H3,(H,27,29)(H,30,31)