methyl 2-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]ethanoate

Systemtic Name: methyl 2-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]ethanoate Openeye Name: methyl 2-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]acetate CAS Name: 2-[6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]acetate Traditional Name: 2-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]acetic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-21(2,22)16-7-4-14(5-8-16)17-9-6-15-13-23-11-10-18(15)19(17)12-20(24)25-3/h4-11,13H,12,22H2,1-3H3