1-propanoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-propanoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-propanoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-(1-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-propanoyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-propionyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

Isomeric SMILES

CCC(=O)C1C2=CC=CC=C2CC(N1)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-2-11(15)12-9-6-4-3-5-8(9)7-10(14-12)13(16)17/h3-6,10,12,14H,2,7H2,1H3,(H,16,17)