1-(4-methylpentan-2-ylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-methylpentan-2-ylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(1,3-dimethylbutylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(4-methylpentan-2-ylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-methylpentan-2-ylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(1,3-dimethylbutylamino)isoquinoline-3-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CC(C)NC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-10(2)8-11(3)17-15-13-7-5-4-6-12(13)9-14(18-15)16(19)20/h4-7,9-11H,8H2,1-3H3,(H,17,18)(H,19,20)