6-(isoquinolin-5-ylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(isoquinolin-5-ylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(5-isoquinolylamino)-6-oxo-hexanoic acid CAS Name: 6-(5-isoquinolinylamino)-6-oxohexanoic acid IUPAC Name: 6-(isoquinolin-5-ylamino)-6-oxohexanoic acid Traditional Name: 6-(5-isoquinolylamino)-6-keto-hexanoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c18-14(6-1-2-7-15(19)20)17-13-5-3-4-11-10-16-9-8-12(11)13/h3-5,8-10H,1-2,6-7H2,(H,17,18)(H,19,20)