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

Systemtic Name: 4-oxidanylidene-4-[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dodecan-4-yl]oxy-butanoic acid Openeye Name: 4-[(1S)-1-[3-(benzylamino)-3-oxo-propyl]nonoxy]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(4S)-1-oxo-1-[(phenylmethyl)amino]dodecan-4-yl]oxybutanoic acid IUPAC Name: 4-[(4S)-1-(benzylamino)-1-oxododecan-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(1S)-1-[3-(benzylamino)-3-keto-propyl]nonoxy]-4-keto-butyric acid Formula: C23H35NO5 MolecularWeight: 405.5277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO5/c1-2-3-4-5-6-10-13-20(29-23(28)17-16-22(26)27)14-15-21(25)24-18-19-11-8-7-9-12-19/h7-9,11-12,20H,2-6,10,13-18H2,1H3,(H,24,25)(H,26,27)/t20-/m0/s1