2-ethyl-4-methoxycarbonyl-6-methyl-7-(nona-1,3,5,7-tetraynylamino)-7-oxidanylidene-heptanoic acid

Systemtic Name: 2-ethyl-4-methoxycarbonyl-6-methyl-7-(nona-1,3,5,7-tetraynylamino)-7-oxidanylidene-heptanoic acid Openeye Name: 2-ethyl-4-methoxycarbonyl-6-methyl-7-(nona-1,3,5,7-tetraynylamino)-7-oxo-heptanoic acid CAS Name: 2-ethyl-4-methoxycarbonyl-6-methyl-7-(nona-1,3,5,7-tetraynylamino)-7-oxoheptanoic acid IUPAC Name: 2-ethyl-4-methoxycarbonyl-6-methyl-7-(nona-1,3,5,7-tetraynylamino)-7-oxoheptanoic acid Traditional Name: 4-carbomethoxy-2-ethyl-7-keto-6-methyl-7-(nona-1,3,5,7-tetraynylamino)enanthic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)NC#CC#CC#CC#CC)C(=O)OC)C(=O)O

Isomeric SMILES

CCC(CC(CC(C)C(=O)NC#CC#CC#CC#CC)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-5-7-8-9-10-11-12-13-22-19(23)16(3)14-18(21(26)27-4)15-17(6-2)20(24)25/h16-18H,6,14-15H2,1-4H3,(H,22,23)(H,24,25)