[4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-phenylmethoxybenzoate; methanesulfonic acid

Systemtic Name: [4-carbamimidoyl-2-(phenylcarbonyl)phenyl] 4-phenylmethoxybenzoate; methanesulfonic acid Openeye Name: (2-benzoyl-4-carbamimidoyl-phenyl) 4-benzyloxybenzoate; methanesulfonic acid CAS Name: methanesulfonic acid; 4-phenylmethoxybenzoic acid (2-benzoyl-4-carbamimidoylphenyl) ester IUPAC Name: (2-benzoyl-4-carbamimidoylphenyl) 4-phenylmethoxybenzoate; methanesulfonic acid Traditional Name: 4-benzoxybenzoic acid (4-amidino-2-benzoyl-phenyl) ester; mesylic acid Formula: C29H26N2O7S MolecularWeight: 546.59094

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=N)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(=N)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H22N2O4.CH4O3S/c29-27(30)22-13-16-25(24(17-22)26(31)20-9-5-2-6-10-20)34-28(32)21-11-14-23(15-12-21)33-18-19-7-3-1-4-8-19;1-5(2,3)4/h1-17H,18H2,(H3,29,30);1H3,(H,2,3,4)