2-[1-[(4-chlorophenyl)methyl-methyl-amino]-3-methyl-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl-methyl-amino]-3-methyl-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl-methyl-amino]-3-methyl-4-isoquinolyl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl-methylamino]-3-methyl-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl-methylamino]-3-methylisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-[(4-chlorobenzyl)-methyl-amino]-3-methyl-4-isoquinolyl]acetic acid Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=N1)N(C)CC3=CC=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=N1)N(C)CC3=CC=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C20H19ClN2O2/c1-13-18(11-19(24)25)16-5-3-4-6-17(16)20(22-13)23(2)12-14-7-9-15(21)10-8-14/h3-10H,11-12H2,1-2H3,(H,24,25)