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

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-3-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-carbamoyl-benzoic acid Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)N)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O3/c1-17-27(18-6-3-2-4-7-18)25-15-21(29(32)33)11-13-26(25)35-28(17)20-9-5-8-19(14-20)23-12-10-22(30(34)36)16-24(23)31(37)38/h2-17,27-28,35H,1H3,(H3,32,33)(H2,34,36)(H,37,38)