(4-carbamimidoyl-2-methoxy-phenyl) 4-(4-aminophenyl)butanoate; methanesulfonic acid

Systemtic Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(4-aminophenyl)butanoate; methanesulfonic acid Openeye Name: (4-carbamimidoyl-2-methoxy-phenyl) 4-(4-aminophenyl)butanoate; methanesulfonic acid CAS Name: 4-(4-aminophenyl)butanoic acid (4-carbamimidoyl-2-methoxyphenyl) ester; methanesulfonic acid IUPAC Name: (4-carbamimidoyl-2-methoxyphenyl) 4-(4-aminophenyl)butanoate; methanesulfonic acid Traditional Name: 4-(4-aminophenyl)butyric acid (4-amidino-2-methoxy-phenyl) ester; mesylic acid Formula: C20H29N3O9S2 MolecularWeight: 519.58896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)OC(=O)CCCC2=CC=C(C=C2)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)OC(=O)CCCC2=CC=C(C=C2)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H21N3O3.2CH4O3S/c1-23-16-11-13(18(20)21)7-10-15(16)24-17(22)4-2-3-12-5-8-14(19)9-6-12;2*1-5(2,3)4/h5-11H,2-4,19H2,1H3,(H3,20,21);2*1H3,(H,2,3,4)