2-(3-acetamido-4-methyl-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoic acid

Systemtic Name: 2-(3-acetamido-4-methyl-phenyl)-2-[(4-carbamimidoylphenyl)amino]ethanoic acid Openeye Name: 2-(3-acetamido-4-methyl-phenyl)-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(3-acetamido-4-methylphenyl)-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-(3-acetamido-4-methylphenyl)-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-(3-acetamido-4-methyl-phenyl)-2-(4-amidinoanilino)acetic acid Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)NC(=O)C

InChI

InChI=1S/C18H20N4O3/c1-10-3-4-13(9-15(10)21-11(2)23)16(18(24)25)22-14-7-5-12(6-8-14)17(19)20/h3-9,16,22H,1-2H3,(H3,19,20)(H,21,23)(H,24,25)