2-[[5-carbamimidoyl-2-[[(4-fluoranyl-3-methyl-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[5-carbamimidoyl-2-[[(4-fluoranyl-3-methyl-phenyl)carbonylamino]methyl]phenyl]amino]ethanoic acid Openeye Name: 2-[5-carbamimidoyl-2-[[(4-fluoro-3-methyl-benzoyl)amino]methyl]anilino]acetic acid CAS Name: 2-[5-carbamimidoyl-2-[[[(4-fluoro-3-methylphenyl)-oxomethyl]amino]methyl]anilino]acetic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(4-fluoro-3-methylbenzoyl)amino]methyl]anilino]acetic acid Traditional Name: 2-[5-amidino-2-[[(4-fluoro-3-methyl-benzoyl)amino]methyl]anilino]acetic acid Formula: C18H19FN4O3 MolecularWeight: 358.366863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)O)F

InChI

InChI=1S/C18H19FN4O3/c1-10-6-12(4-5-14(10)19)18(26)23-8-13-3-2-11(17(20)21)7-15(13)22-9-16(24)25/h2-7,22H,8-9H2,1H3,(H3,20,21)(H,23,26)(H,24,25)