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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenylmethoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[4-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-phenylmethoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-phenylmethoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-benzoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C33H32N4O5 MolecularWeight: 564.63098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C33H32N4O5/c1-20(2)18-36-31(38)23-10-14-27(29(16-23)33(40)41)26-15-13-25(42-19-21-6-4-3-5-7-21)17-28(26)32(39)37-24-11-8-22(9-12-24)30(34)35/h3-17,20H,18-19H2,1-2H3,(H3,34,35)(H,36,38)(H,37,39)(H,40,41)