(4-carbamimidoyl-2-methoxy-phenyl) 4-(phenylmethoxycarbonylaminomethyl)benzoate; methanesulfonic acid

Systemtic Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(phenylmethoxycarbonylaminomethyl)benzoate; methanesulfonic acid Openeye Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(benzyloxycarbonylaminomethyl)benzoate; methanesulfonic acid CAS Name: methanesulfonic acid; 4-(phenylmethoxycarbonylaminomethyl)benzoic acid (4-carbamimidoyl-2-methoxyphenyl) ester IUPAC Name: (4-carbamimidoyl-2-methoxyphenyl) 4-(phenylmethoxycarbonylaminomethyl)benzoate; methanesulfonic acid Traditional Name: 4-(benzyloxycarbonylaminomethyl)benzoic acid (4-amidino-2-methoxy-phenyl) ester; mesylic acid Formula: C25H27N3O8S MolecularWeight: 529.56218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)OC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C24H23N3O5.CH4O3S/c1-30-21-13-19(22(25)26)11-12-20(21)32-23(28)18-9-7-16(8-10-18)14-27-24(29)31-15-17-5-3-2-4-6-17;1-5(2,3)4/h2-13H,14-15H2,1H3,(H3,25,26)(H,27,29);1H3,(H,2,3,4)