4-[[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]methyl]phenyl]amino]benzoic acid

Systemtic Name: 4-[[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]methyl]phenyl]amino]benzoic acid Openeye Name: 4-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]benzoic acid CAS Name: 4-[5-carbamimidoyl-2-[[[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]amino]methyl]anilino]benzoic acid IUPAC Name: 4-[5-carbamimidoyl-2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]anilino]benzoic acid Traditional Name: 4-[5-amidino-2-[[(3,5-dimethoxy-4-methyl-benzoyl)amino]methyl]anilino]benzoic acid Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C25H26N4O5/c1-14-21(33-2)11-18(12-22(14)34-3)24(30)28-13-17-5-4-16(23(26)27)10-20(17)29-19-8-6-15(7-9-19)25(31)32/h4-12,29H,13H2,1-3H3,(H3,26,27)(H,28,30)(H,31,32)