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

Systemtic Name: 4-oxidanylidene-4-[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]decan-4-yl]oxy-butanoic acid Openeye Name: 4-[(1S)-1-[3-(benzylamino)-3-oxo-propyl]heptoxy]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(4S)-1-oxo-1-[(phenylmethyl)amino]decan-4-yl]oxybutanoic acid IUPAC Name: 4-[(4S)-1-(benzylamino)-1-oxodecan-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(1S)-1-[3-(benzylamino)-3-keto-propyl]heptoxy]-4-keto-butyric acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-2-3-4-8-11-18(27-21(26)15-14-20(24)25)12-13-19(23)22-16-17-9-6-5-7-10-17/h5-7,9-10,18H,2-4,8,11-16H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1