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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carboxy-5-methyl-phenyl)carbonylamino]phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carboxy-5-methyl-benzoyl)amino]phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[[(3-carboxy-5-methylphenyl)-oxomethyl]amino]phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carboxy-5-methylbenzoyl)amino]phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-[(3-carboxy-5-methyl-benzoyl)amino]phenyl]-5-carbamoyl-benzoic acid Formula: C40H35N5O6 MolecularWeight: 681.7358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)C(=O)NC2=CC(=CC(=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)(C)C5=CC=CC=C5)C6=C(C=C(C=C6)C(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)C(=O)NC2=CC(=CC(=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)(C)C5=CC=CC=C5)C6=C(C=C(C=C6)C(=O)N)C(=O)O

InChI

InChI=1S/C40H35N5O6/c1-21-12-26(15-27(13-21)38(48)49)37(47)44-29-16-24(30-10-8-23(36(43)46)18-31(30)39(50)51)14-25(17-29)34-20-40(2,28-6-4-3-5-7-28)32-19-22(35(41)42)9-11-33(32)45-34/h3-19,34,45H,20H2,1-2H3,(H3,41,42)(H2,43,46)(H,44,47)(H,48,49)(H,50,51)