4-oxidanylidene-4-[(Z,4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dec-7-en-4-yl]oxy-butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(Z,4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dec-7-en-4-yl]oxy-butanoic acid Openeye Name: 4-[(Z,1S)-1-[3-(benzylamino)-3-oxo-propyl]hept-4-enoxy]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(Z,4S)-1-oxo-1-[(phenylmethyl)amino]dec-7-en-4-yl]oxybutanoic acid IUPAC Name: 4-[(Z,4S)-1-(benzylamino)-1-oxodec-7-en-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(Z,1S)-1-[3-(benzylamino)-3-keto-propyl]hept-4-enoxy]-4-keto-butyric acid Formula: C21H29NO5 MolecularWeight: 375.45866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/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/h3-7,9-10,18H,2,8,11-16H2,1H3,(H,22,23)(H,24,25)/b4-3-/t18-/m0/s1