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

Systemtic Name: (3S)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-isovaleryl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-10(2)7-14(17)16-9-12-6-4-3-5-11(12)8-13(16)15(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)/t13-/m0/s1