2-[1-carbamimidoyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidin-2-yl]benzoic acid

Systemtic Name: 2-[1-carbamimidoyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)piperidin-2-yl]benzoic acid Openeye Name: 2-[1-carbamimidoyl-4-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-piperidyl]benzoic acid CAS Name: 2-[1-carbamimidoyl-4-(1-hydroxy-1-oxopropan-2-yl)-2-piperidinyl]benzoic acid IUPAC Name: 2-[1-carbamimidoyl-4-(1-hydroxy-1-oxopropan-2-yl)piperidin-2-yl]benzoic acid Traditional Name: 2-[1-amidino-4-(2-hydroxy-2-keto-1-methyl-ethyl)-2-piperidyl]benzoic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)O)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)O)C(=N)N)C(=O)O

InChI

InChI=1S/C16H21N3O4/c1-9(14(20)21)10-6-7-19(16(17)18)13(8-10)11-4-2-3-5-12(11)15(22)23/h2-5,9-10,13H,6-8H2,1H3,(H3,17,18)(H,20,21)(H,22,23)