6-(2-azanylethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-(2-azanylethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-(2-aminoethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid CAS Name: 6-(2-aminoethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-(2-aminoethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid Traditional Name: 6-(2-aminoethyl)-2-[4-(2-fluorophenyl)phenyl]-3-methyl-cinchoninic acid Formula: C25H21FN2O2 MolecularWeight: 400.444843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)CCN)C3=CC=C(C=C3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)O)CCN)C3=CC=C(C=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H21FN2O2/c1-15-23(25(29)30)20-14-16(12-13-27)6-11-22(20)28-24(15)18-9-7-17(8-10-18)19-4-2-3-5-21(19)26/h2-11,14H,12-13,27H2,1H3,(H,29,30)