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

Systemtic Name: 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]benzoic acid CAS Name: 2-[3-[6-carbamimidoyl-4-(4-fluorophenyl)-4-methyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid IUPAC Name: 2-[3-[6-carbamimidoyl-4-(4-fluorophenyl)-4-methyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid Traditional Name: 2-[3-[6-amidino-4-(4-fluorophenyl)-4-methyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid Formula: C30H26FN3O2 MolecularWeight: 479.544743

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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=CC=CC=C4C(=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=CC=CC=C4C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H26FN3O2/c1-30(21-10-12-22(31)13-11-21)17-27(34-26-14-9-20(28(32)33)16-25(26)30)19-6-4-5-18(15-19)23-7-2-3-8-24(23)29(35)36/h2-16,27,34H,17H2,1H3,(H3,32,33)(H,35,36)