[4-[(2S)-3-methoxy-2-(octanoylamino)-3-oxidanylidene-propyl]phenyl] octanoate

Systemtic Name: [4-[(2S)-3-methoxy-2-(octanoylamino)-3-oxidanylidene-propyl]phenyl] octanoate Openeye Name: [4-[(2S)-3-methoxy-2-(octanoylamino)-3-oxo-propyl]phenyl] octanoate CAS Name: octanoic acid [4-[(2S)-3-methoxy-3-oxo-2-(1-oxooctylamino)propyl]phenyl] ester IUPAC Name: [4-[(2S)-3-methoxy-2-(octanoylamino)-3-oxopropyl]phenyl] octanoate Traditional Name: caprylic acid [4-[(2S)-2-(caprylylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C26H41NO5 MolecularWeight: 447.60744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)CCCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)CCCCCCC)C(=O)OC

InChI

InChI=1S/C26H41NO5/c1-4-6-8-10-12-14-24(28)27-23(26(30)31-3)20-21-16-18-22(19-17-21)32-25(29)15-13-11-9-7-5-2/h16-19,23H,4-15,20H2,1-3H3,(H,27,28)/t23-/m0/s1