2-[3-(4-carbamimidoylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-carbamimidoylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-carbamimidoylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[3-(4-carbamimidoylphenyl)-4-[7-imidazo[1,2-a]pyridinyl(oxo)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(4-carbamimidoylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[3-(4-amidinophenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazino]acetic acid Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC4=NC=CN4C=C3

Isomeric SMILES

C1CN(C(CN1CC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC4=NC=CN4C=C3

InChI

InChI=1S/C21H22N6O3/c22-20(23)15-3-1-14(2-4-15)17-12-25(13-19(28)29)9-10-27(17)21(30)16-5-7-26-8-6-24-18(26)11-16/h1-8,11,17H,9-10,12-13H2,(H3,22,23)(H,28,29)