5-(isoquinolin-5-ylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(isoquinolin-5-ylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-isoquinolylamino)-5-oxo-pentanoic acid CAS Name: 5-(5-isoquinolinylamino)-5-oxopentanoic acid IUPAC Name: 5-(isoquinolin-5-ylamino)-5-oxopentanoic acid Traditional Name: 5-(5-isoquinolylamino)-5-keto-valeric acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C14H14N2O3/c17-13(5-2-6-14(18)19)16-12-4-1-3-10-9-15-8-7-11(10)12/h1,3-4,7-9H,2,5-6H2,(H,16,17)(H,18,19)