2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]butanoic acid

Systemtic Name: 2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]butanoic acid Openeye Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolyl]butanoic acid CAS Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolinyl]butanoic acid IUPAC Name: 2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]butanoic acid Traditional Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolyl]butyric acid Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C21H22N2O2/c1-4-16(21(24)25)17-6-5-7-19-18(17)12-13-22-20(19)14-8-10-15(11-9-14)23(2)3/h5-13,16H,4H2,1-3H3,(H,24,25)