2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1-oxidanyl-cyclohex-3-en-1-yl]ethanoic acid

Systemtic Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1-oxidanyl-cyclohex-3-en-1-yl]ethanoic acid Openeye Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridyl]-1-hydroxy-cyclohex-3-en-1-yl]acetic acid CAS Name: 2-[4-[6-(4-carbamimidoylphenyl)-3-pyridinyl]-1-hydroxy-1-cyclohex-3-enyl]acetic acid IUPAC Name: 2-[4-[6-(4-carbamimidoylphenyl)pyridin-3-yl]-1-hydroxycyclohex-3-en-1-yl]acetic acid Traditional Name: 2-[4-[6-(4-amidinophenyl)-3-pyridyl]-1-hydroxy-cyclohex-3-en-1-yl]acetic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)(CC(=O)O)O

Isomeric SMILES

C1CC(CC=C1C2=CN=C(C=C2)C3=CC=C(C=C3)C(=N)N)(CC(=O)O)O

InChI

InChI=1S/C20H21N3O3/c21-19(22)15-3-1-14(2-4-15)17-6-5-16(12-23-17)13-7-9-20(26,10-8-13)11-18(24)25/h1-7,12,26H,8-11H2,(H3,21,22)(H,24,25)