2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]ethanoic acid

Systemtic Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]ethanoic acid Openeye Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetic acid CAS Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]acetic acid IUPAC Name: 2-[[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]acetic acid Traditional Name: 2-[(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]acetic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=N1)OCC(=O)O)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=N1)OCC(=O)O)C#N

InChI

InChI=1S/C16H20N2O3/c1-10(2)7-14-12-6-4-3-5-11(12)13(8-17)16(18-14)21-9-15(19)20/h10H,3-7,9H2,1-2H3,(H,19,20)