1-[8-azanyl-2-(3-ethyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-7-oxidanylidene-octyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[8-azanyl-2-(3-ethyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-7-oxidanylidene-octyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[8-amino-2-(1-carboxy-2-ethyl-pentyl)-7-oxo-octyl]cyclopropanecarboxylic acid CAS Name: 1-[8-amino-2-(3-ethyl-1-hydroxy-1-oxohexan-2-yl)-7-oxooctyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[8-amino-2-(3-ethyl-1-hydroxy-1-oxohexan-2-yl)-7-oxooctyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[8-amino-2-(1-carboxy-2-ethyl-pentyl)-7-keto-octyl]cyclopropanecarboxylic acid Formula: C20H35NO5 MolecularWeight: 369.4956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C(C(CCCCC(=O)CN)CC1(CC1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(CC)C(C(CCCCC(=O)CN)CC1(CC1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H35NO5/c1-3-7-14(4-2)17(18(23)24)15(8-5-6-9-16(22)13-21)12-20(10-11-20)19(25)26/h14-15,17H,3-13,21H2,1-2H3,(H,23,24)(H,25,26)