8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-octanoic acid

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-octanoic acid Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-octanoic acid CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyloctanoic acid IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyloctanoic acid Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-caprylic acid Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1CCC2=CC=CC=C2C1)C(=O)O

Isomeric SMILES

CC(CCCCCCN1CCC2=CC=CC=C2C1)C(=O)O

InChI

InChI=1S/C18H27NO2/c1-15(18(20)21)8-4-2-3-7-12-19-13-11-16-9-5-6-10-17(16)14-19/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,21)