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

Systemtic Name: (3S)-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-butyryl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

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

InChI

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