(3S)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-isobutyryl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C14H17NO3/c1-9(2)13(16)15-8-11-6-4-3-5-10(11)7-12(15)14(17)18/h3-6,9,12H,7-8H2,1-2H3,(H,17,18)/t12-/m0/s1