1-(3-oxidanylpropoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-oxidanylpropoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(3-hydroxypropoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(3-hydroxypropoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-hydroxypropoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(3-hydroxypropoxy)isoquinoline-3-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2OCCCO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2OCCCO)C(=O)O

InChI

InChI=1S/C13H13NO4/c15-6-3-7-18-12-10-5-2-1-4-9(10)8-11(14-12)13(16)17/h1-2,4-5,8,15H,3,6-7H2,(H,16,17)