5-(heptadecylamino)furan-2-carboxylic acid

Systemtic Name: 5-(heptadecylamino)furan-2-carboxylic acid Openeye Name: 5-(heptadecylamino)furan-2-carboxylic acid CAS Name: 5-(heptadecylamino)-2-furancarboxylic acid IUPAC Name: 5-(heptadecylamino)furan-2-carboxylic acid Traditional Name: 5-(heptadecylamino)-2-furoic acid Formula: C22H39NO3 MolecularWeight: 365.54996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-21-18-17-20(26-21)22(24)25/h17-18,23H,2-16,19H2,1H3,(H,24,25)