1-[methyl(pentan-2-yl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[methyl(pentan-2-yl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[methyl(1-methylbutyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[methyl(pentan-2-yl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[methyl(pentan-2-yl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[methyl(1-methylbutyl)amino]isoquinoline-3-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCC(C)N(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-4-7-11(2)18(3)15-13-9-6-5-8-12(13)10-14(17-15)16(19)20/h5-6,8-11H,4,7H2,1-3H3,(H,19,20)