1-(oxolan-2-ylmethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(oxolan-2-ylmethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(tetrahydrofuran-2-ylmethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-oxolanylmethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(oxolan-2-ylmethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(tetrahydrofurfurylamino)isoquinoline-3-carboxylic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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