8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid

Systemtic Name: 8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid Openeye Name: 8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid CAS Name: 8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid IUPAC Name: 8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid Traditional Name: 8-(6,7-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)caprylic acid Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(N(CCC2=C1)CCCCCCCC(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(N(CCC2=C1)CCCCCCCC(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H33NO2/c1-19-17-22-14-16-26(15-10-5-3-4-9-13-24(27)28)25(23(22)18-20(19)2)21-11-7-6-8-12-21/h6-8,11-12,17-18,25H,3-5,9-10,13-16H2,1-2H3,(H,27,28)