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

Systemtic Name: 2-hexadecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-hexadecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1-oxohexadecyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-hexadecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-hexadecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H41NO3 MolecularWeight: 415.60864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C26H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25(28)27-21-23-18-16-15-17-22(23)20-24(27)26(29)30/h15-18,24H,2-14,19-21H2,1H3,(H,29,30)