6-(1-cyanopentadecan-2-yloxy)-6-oxidanylidene-5-(phenoxycarbonylamino)hexanoic acid

Systemtic Name: 6-(1-cyanopentadecan-2-yloxy)-6-oxidanylidene-5-(phenoxycarbonylamino)hexanoic acid Openeye Name: 6-[1-(cyanomethyl)tetradecoxy]-6-oxo-5-(phenoxycarbonylamino)hexanoic acid CAS Name: 6-(1-cyanopentadecan-2-yloxy)-6-oxo-5-[[oxo(phenoxy)methyl]amino]hexanoic acid IUPAC Name: 6-(1-cyanopentadecan-2-yloxy)-6-oxo-5-(phenoxycarbonylamino)hexanoic acid Traditional Name: 5-(carbophenoxyamino)-6-[1-(cyanomethyl)tetradecoxy]-6-keto-hexanoic acid Formula: C29H44N2O6 MolecularWeight: 516.66946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC#N)OC(=O)C(CCCC(=O)O)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC(CC#N)OC(=O)C(CCCC(=O)O)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C29H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-13-19-25(22-23-30)36-28(34)26(20-16-21-27(32)33)31-29(35)37-24-17-14-12-15-18-24/h12,14-15,17-18,25-26H,2-11,13,16,19-22H2,1H3,(H,31,35)(H,32,33)