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

Systemtic Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid IUPAC Name: 2-[3-(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)phenyl]benzoic acid Formula: C29H25N3O2 MolecularWeight: 447.5277

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2/c30-28(31)21-13-14-26-25(16-21)24(18-7-2-1-3-8-18)17-27(32-26)20-10-6-9-19(15-20)22-11-4-5-12-23(22)29(33)34/h1-16,24,27,32H,17H2,(H3,30,31)(H,33,34)