4-(tridecanoylamino)octanoic acid

Systemtic Name: 4-(tridecanoylamino)octanoic acid Openeye Name: 4-(tridecanoylamino)octanoic acid CAS Name: 4-(1-oxotridecylamino)octanoic acid IUPAC Name: 4-(tridecanoylamino)octanoic acid Traditional Name: 4-(tridecanoylamino)caprylic acid Formula: C21H41NO3 MolecularWeight: 355.55514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC(CCCC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC(CCCC)CCC(=O)O

InChI

InChI=1S/C21H41NO3/c1-3-5-7-8-9-10-11-12-13-14-16-20(23)22-19(15-6-4-2)17-18-21(24)25/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)