[4-[(2S)-2-(hexanoylamino)-3-methoxy-3-oxidanylidene-propyl]phenyl] hexanoate

Systemtic Name: [4-[(2S)-2-(hexanoylamino)-3-methoxy-3-oxidanylidene-propyl]phenyl] hexanoate Openeye Name: [4-[(2S)-2-(hexanoylamino)-3-methoxy-3-oxo-propyl]phenyl] hexanoate CAS Name: hexanoic acid [4-[(2S)-3-methoxy-3-oxo-2-(1-oxohexylamino)propyl]phenyl] ester IUPAC Name: [4-[(2S)-2-(hexanoylamino)-3-methoxy-3-oxopropyl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[(2S)-2-(caproylamino)-3-keto-3-methoxy-propyl]phenyl] ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)CCCCC)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)CCCCC)C(=O)OC

InChI

InChI=1S/C22H33NO5/c1-4-6-8-10-20(24)23-19(22(26)27-3)16-17-12-14-18(15-13-17)28-21(25)11-9-7-5-2/h12-15,19H,4-11,16H2,1-3H3,(H,23,24)/t19-/m0/s1