4-[2-(butylamino)-1-oxidanyl-ethyl]phenol; pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(butylamino)-1-oxidanyl-ethyl]phenol; pyridine-3-carboxylic acid Openeye Name: 4-[2-(butylamino)-1-hydroxy-ethyl]phenol; nicotinic acid CAS Name: 4-[2-(butylamino)-1-hydroxyethyl]phenol; 3-pyridinecarboxylic acid IUPAC Name: 4-[2-(butylamino)-1-hydroxyethyl]phenol; pyridine-3-carboxylic acid Traditional Name: 4-[2-(butylamino)-1-hydroxy-ethyl]phenol; nicotinic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C1=CC=C(C=C1)O)O.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCCCNCC(C1=CC=C(C=C1)O)O.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C12H19NO2.C6H5NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;8-6(9)5-2-1-3-7-4-5/h4-7,12-15H,2-3,8-9H2,1H3;1-4H,(H,8,9)