ethyl 3-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]propanoate

Systemtic Name: ethyl 3-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]propanoate Openeye Name: ethyl 3-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]propanoate CAS Name: 3-[6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]propanoate Traditional Name: 3-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]propionic acid ethyl ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC2=C1C=CN=C2)C3=CC=C(C=C3)C(C)(C)N

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC2=C1C=CN=C2)C3=CC=C(C=C3)C(C)(C)N

InChI

InChI=1S/C23H26N2O2/c1-4-27-22(26)12-11-21-19(10-7-17-15-25-14-13-20(17)21)16-5-8-18(9-6-16)23(2,3)24/h5-10,13-15H,4,11-12,24H2,1-3H3