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

Systemtic Name: 2-tetradecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-tetradecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-oxotetradecyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-tetradecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-tetradecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H37NO3 MolecularWeight: 387.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C24H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(26)25-19-21-16-14-13-15-20(21)18-22(25)24(27)28/h13-16,22H,2-12,17-19H2,1H3,(H,27,28)