5-(3-azanylisoquinolin-1-yl)pentanoic acid

Systemtic Name: 5-(3-azanylisoquinolin-1-yl)pentanoic acid Openeye Name: 5-(3-amino-1-isoquinolyl)pentanoic acid CAS Name: 5-(3-amino-1-isoquinolinyl)pentanoic acid IUPAC Name: 5-(3-aminoisoquinolin-1-yl)pentanoic acid Traditional Name: 5-(3-amino-1-isoquinolyl)valeric acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2CCCCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2CCCCC(=O)O)N

InChI

InChI=1S/C14H16N2O2/c15-13-9-10-5-1-2-6-11(10)12(16-13)7-3-4-8-14(17)18/h1-2,5-6,9H,3-4,7-8H2,(H2,15,16)(H,17,18)