3-hexadecyl-2,3-dihydro-1H-indole-5-carboxylic acid hydrochloride

Systemtic Name: 3-hexadecyl-2,3-dihydro-1H-indole-5-carboxylic acid hydrochloride Openeye Name: 3-hexadecylindoline-5-carboxylic acid hydrochloride CAS Name: 3-hexadecyl-2,3-dihydro-1H-indole-5-carboxylic acid hydrochloride IUPAC Name: 3-hexadecyl-2,3-dihydro-1H-indole-5-carboxylic acid hydrochloride Traditional Name: 3-cetylindoline-5-carboxylic acid hydrochloride Formula: C25H42ClNO2 MolecularWeight: 424.05948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1CNC2=C1C=C(C=C2)C(=O)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC1CNC2=C1C=C(C=C2)C(=O)O.Cl

InChI

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