5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluoranyl-phenyl]benzoic acid

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluoranyl-phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluoro-phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluorophenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluorophenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-4-fluoro-phenyl]-5-carbamoyl-benzoic acid Formula: C31H27FN4O3 MolecularWeight: 522.569483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)F)C5=CC=CC=C5

Isomeric SMILES

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)F)C5=CC=CC=C5

InChI

InChI=1S/C31H27FN4O3/c1-31(20-5-3-2-4-6-20)16-27(36-26-12-9-18(28(33)34)15-24(26)31)23-13-17(8-11-25(23)32)21-10-7-19(29(35)37)14-22(21)30(38)39/h2-15,27,36H,16H2,1H3,(H3,33,34)(H2,35,37)(H,38,39)