2-[4-[[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[4-[[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[(5-amidino-1H-indole-2-carbonyl)amino]methyl]phenyl]acetic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C19H18N4O3/c20-18(21)13-5-6-15-14(8-13)9-16(23-15)19(26)22-10-12-3-1-11(2-4-12)7-17(24)25/h1-6,8-9,23H,7,10H2,(H3,20,21)(H,22,26)(H,24,25)