1-(azocan-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(azocan-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(azocan-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(1-azocanyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(azocan-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(azocan-1-yl)isoquinoline-3-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N2O2/c20-17(21)15-12-13-8-4-5-9-14(13)16(18-15)19-10-6-2-1-3-7-11-19/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,20,21)