1-(cycloheptylamino)isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N2O2/c20-17(21)15-11-12-7-5-6-10-14(12)16(19-15)18-13-8-3-1-2-4-9-13/h5-7,10-11,13H,1-4,8-9H2,(H,18,19)(H,20,21)