2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]ethanoic acid

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]ethanoic acid Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]acetic acid CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]acetic acid IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]acetic acid Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]acetic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)NCC(=O)O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)NCC(=O)O)C

InChI

InChI=1S/C13H16N2O2/c1-13(2)7-9-5-3-4-6-10(9)12(15-13)14-8-11(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)