1-(cyclopentylmethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(cyclopentylmethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(cyclopentylmethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(cyclopentylmethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(cyclopentylmethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(cyclopentylmethylamino)isoquinoline-3-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(C1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18N2O2/c19-16(20)14-9-12-7-3-4-8-13(12)15(18-14)17-10-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H,17,18)(H,19,20)