1-(oxan-2-ylmethoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(oxan-2-ylmethoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(tetrahydropyran-2-ylmethoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(2-oxanylmethoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(oxan-2-ylmethoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(tetrahydropyran-2-ylmethoxy)isoquinoline-3-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCOC(C1)COC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H17NO4/c18-16(19)14-9-11-5-1-2-7-13(11)15(17-14)21-10-12-6-3-4-8-20-12/h1-2,5,7,9,12H,3-4,6,8,10H2,(H,18,19)