3-[4-[1-(butan-2-ylcarbamoylamino)-6-methyl-heptoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[1-(butan-2-ylcarbamoylamino)-6-methyl-heptoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 2-ethoxy-3-[4-[6-methyl-1-(sec-butylcarbamoylamino)heptoxy]phenyl]propanoic acid CAS Name: 3-[4-[1-[[(butan-2-ylamino)-oxomethyl]amino]-6-methylheptoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[1-(butan-2-ylcarbamoylamino)-6-methylheptoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 2-ethoxy-3-[4-[6-methyl-1-(sec-butylcarbamoylamino)heptoxy]phenyl]propionic acid Formula: C24H40N2O5 MolecularWeight: 436.5848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(CCCCC(C)C)OC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCC(C)NC(=O)NC(CCCCC(C)C)OC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C24H40N2O5/c1-6-18(5)25-24(29)26-22(11-9-8-10-17(3)4)31-20-14-12-19(13-15-20)16-21(23(27)28)30-7-2/h12-15,17-18,21-22H,6-11,16H2,1-5H3,(H,27,28)(H2,25,26,29)