5-[4-(2-cyanoethyl)piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-(2-cyanoethyl)-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-(2-cyanoethyl)piperazino]-2-hydroxy-benzoic acid Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C14H17N3O3/c15-4-1-5-16-6-8-17(9-7-16)11-2-3-13(18)12(10-11)14(19)20/h2-3,10,18H,1,5-9H2,(H,19,20)