4-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[5-carbamimidoyl-2-[[[(3-methylphenyl)-oxomethyl]amino]methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[5-amidino-2-[(m-toluoylamino)methyl]phenoxy]methyl]benzoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H23N3O4/c1-15-3-2-4-19(11-15)23(28)27-13-20-10-9-18(22(25)26)12-21(20)31-14-16-5-7-17(8-6-16)24(29)30/h2-12H,13-14H2,1H3,(H3,25,26)(H,27,28)(H,29,30)