1-[1-(oxolan-2-yl)ethylamino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[1-(oxolan-2-yl)ethylamino]isoquinoline-3-carboxylic acid Openeye Name: 1-(1-tetrahydrofuran-2-ylethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-[1-(2-oxolanyl)ethylamino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[1-(oxolan-2-yl)ethylamino]isoquinoline-3-carboxylic acid Traditional Name: 1-[1-(tetrahydrofuryl)ethylamino]isoquinoline-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C1CCCO1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-10(14-7-4-8-21-14)17-15-12-6-3-2-5-11(12)9-13(18-15)16(19)20/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,17,18)(H,19,20)