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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(4-carboxyphenyl)carbonylamino]phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(4-carboxybenzoyl)amino]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[[(4-carboxyphenyl)-oxomethyl]amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(4-carboxybenzoyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(4-carboxybenzoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C39H33N5O6 MolecularWeight: 667.70922

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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)NC(=O)C5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6

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)NC(=O)C5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C39H33N5O6/c1-39(27-5-3-2-4-6-27)20-33(44-32-14-12-23(34(40)41)19-31(32)39)26-15-25(29-13-11-24(35(42)45)18-30(29)38(49)50)16-28(17-26)43-36(46)21-7-9-22(10-8-21)37(47)48/h2-19,33,44H,20H2,1H3,(H3,40,41)(H2,42,45)(H,43,46)(H,47,48)(H,49,50)