6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-carboxylic acid

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-carboxylic acid Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-carboxylic acid CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinecarboxylic acid IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]isoquinoline-5-carboxylic acid Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-carboxylic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)C(=O)O)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)C(=O)O)N

InChI

InChI=1S/C19H18N2O2/c1-19(2,20)14-6-3-12(4-7-14)15-8-5-13-11-21-10-9-16(13)17(15)18(22)23/h3-11H,20H2,1-2H3,(H,22,23)