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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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