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

Systemtic Name: 3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid Openeye Name: 3-hexadecylindoline-6-carboxylic acid CAS Name: 3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid IUPAC Name: 3-hexadecyl-2,3-dihydro-1H-indole-6-carboxylic acid Traditional Name: 3-cetylindoline-6-carboxylic acid Formula: C25H41NO2 MolecularWeight: 387.59854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CNC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C25H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20-26-24-19-21(25(27)28)17-18-23(22)24/h17-19,22,26H,2-16,20H2,1H3,(H,27,28)