1-(oxan-4-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(oxan-4-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(tetrahydropyran-4-ylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(4-oxanylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(oxan-4-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(tetrahydropyran-4-ylamino)isoquinoline-3-carboxylic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1COCCC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C15H16N2O3/c18-15(19)13-9-10-3-1-2-4-12(10)14(17-13)16-11-5-7-20-8-6-11/h1-4,9,11H,5-8H2,(H,16,17)(H,18,19)