3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)N2CCC3=CC=CC=C3C2)C(=O)O)C

InChI

InChI=1S/C19H25NO3/c1-18(2)15(16(21)22)8-10-19(18,3)17(23)20-11-9-13-6-4-5-7-14(13)12-20/h4-7,15H,8-12H2,1-3H3,(H,21,22)