8-[[4-(hexadecylamino)phenyl]carbonylamino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[[4-(hexadecylamino)phenyl]carbonylamino]-8-oxidanylidene-octanoic acid Openeye Name: 8-[[4-(hexadecylamino)benzoyl]amino]-8-oxo-octanoic acid CAS Name: 8-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]-8-oxooctanoic acid IUPAC Name: 8-[[4-(hexadecylamino)benzoyl]amino]-8-oxooctanoic acid Traditional Name: 8-[[4-(cetylamino)benzoyl]amino]-8-keto-caprylic acid Formula: C31H52N2O4 MolecularWeight: 516.75558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)CCCCCCC(=O)O

InChI

InChI=1S/C31H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-26-32-28-24-22-27(23-25-28)31(37)33-29(34)20-17-14-15-18-21-30(35)36/h22-25,32H,2-21,26H2,1H3,(H,35,36)(H,33,34,37)