2-[4-[2,3-bis(oxidanyl)propyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[2,3-bis(oxidanyl)propyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2,3-dihydroxypropyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-(4-glyceryl-1,4-diazepan-1-yl)nicotinic acid Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=CC=N2)C(=O)O)CC(CO)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=CC=N2)C(=O)O)CC(CO)O

InChI

InChI=1S/C14H21N3O4/c18-10-11(19)9-16-5-2-6-17(8-7-16)13-12(14(20)21)3-1-4-15-13/h1,3-4,11,18-19H,2,5-10H2,(H,20,21)