2-[3-azanyl-5-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid

Systemtic Name: 2-[3-azanyl-5-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid Openeye Name: 2-[3-amino-5-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid CAS Name: 2-[3-amino-5-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid IUPAC Name: 2-[3-amino-5-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid Traditional Name: 2-[3-(6-amidino-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)-5-amino-phenyl]benzoic acid Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC(=CC(=C3)C4=CC=CC=C4C(=O)O)N)C5=CC=CC=C5

Isomeric SMILES

C1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC(=CC(=C3)C4=CC=CC=C4C(=O)O)N)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)