2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1,4-bis(oxidanyl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1,4-bis(oxidanyl)cyclohexyl]ethanoic acid Openeye Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridyl]-1,4-dihydroxy-cyclohexyl]acetic acid CAS Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]-1,4-dihydroxycyclohexyl]acetic acid IUPAC Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1,4-dihydroxycyclohexyl]acetic acid Traditional Name: 2-[4-[6-(4-amidinophenyl)-3-pyridyl]-1,4-dihydroxy-cyclohexyl]acetic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1(CC(=O)O)O)(C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

C1CC(CCC1(CC(=O)O)O)(C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C20H23N3O4/c21-18(22)14-3-1-13(2-4-14)16-6-5-15(12-23-16)20(27)9-7-19(26,8-10-20)11-17(24)25/h1-6,12,26-27H,7-11H2,(H3,21,22)(H,24,25)