2-[2-(4-carbamimidoylphenoxy)-5-(3-methylbutanoylamino)phenyl]benzoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenoxy)-5-(3-methylbutanoylamino)phenyl]benzoic acid Openeye Name: 2-[2-(4-carbamimidoylphenoxy)-5-(3-methylbutanoylamino)phenyl]benzoic acid CAS Name: 2-[2-(4-carbamimidoylphenoxy)-5-[(3-methyl-1-oxobutyl)amino]phenyl]benzoic acid IUPAC Name: 2-[2-(4-carbamimidoylphenoxy)-5-(3-methylbutanoylamino)phenyl]benzoic acid Traditional Name: 2-[2-(4-amidinophenoxy)-5-(isovalerylamino)phenyl]benzoic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H25N3O4/c1-15(2)13-23(29)28-17-9-12-22(32-18-10-7-16(8-11-18)24(26)27)21(14-17)19-5-3-4-6-20(19)25(30)31/h3-12,14-15H,13H2,1-2H3,(H3,26,27)(H,28,29)(H,30,31)