3-octadecyl-2,3-dihydro-1H-indole-6-carboxylic acid

Systemtic Name: 3-octadecyl-2,3-dihydro-1H-indole-6-carboxylic acid Openeye Name: 3-octadecylindoline-6-carboxylic acid CAS Name: 3-octadecyl-2,3-dihydro-1H-indole-6-carboxylic acid IUPAC Name: 3-octadecyl-2,3-dihydro-1H-indole-6-carboxylic acid Traditional Name: 3-stearylindoline-6-carboxylic acid Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C27H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22-28-26-21-23(27(29)30)19-20-25(24)26/h19-21,24,28H,2-18,22H2,1H3,(H,29,30)