2-heptanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-heptanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-heptanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-oxoheptyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-heptanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-enanthyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C17H23NO3/c1-2-3-4-5-10-16(19)18-12-14-9-7-6-8-13(14)11-15(18)17(20)21/h6-9,15H,2-5,10-12H2,1H3,(H,20,21)