2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-(4-amidinobenzyl)oxyphenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2OCC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H27N3O4/c1-16(2)14-29-25(30)19-11-12-20(22(13-19)26(31)32)21-5-3-4-6-23(21)33-15-17-7-9-18(10-8-17)24(27)28/h3-13,16H,14-15H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)