1-(cyclohexylmethylamino)isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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