4-oxidanylidene-4-[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]undecan-4-yl]oxy-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]undecan-4-yl]oxy-butanoic acid Openeye Name: 4-[(1S)-1-[3-(benzylamino)-3-oxo-propyl]octoxy]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(4S)-1-oxo-1-[(phenylmethyl)amino]undecan-4-yl]oxybutanoic acid IUPAC Name: 4-[(4S)-1-(benzylamino)-1-oxoundecan-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(1S)-1-[3-(benzylamino)-3-keto-propyl]octoxy]-4-keto-butyric acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC(=O)NCC1=CC=CC=C1)OC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCC[C@@H](CCC(=O)NCC1=CC=CC=C1)OC(=O)CCC(=O)O

InChI

InChI=1S/C22H33NO5/c1-2-3-4-5-9-12-19(28-22(27)16-15-21(25)26)13-14-20(24)23-17-18-10-7-6-8-11-18/h6-8,10-11,19H,2-5,9,12-17H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1