2-[4-[2-(2,6-dimethylcyclohexyl)oxy-2-oxidanylidene-ethyl]-3-[3-[oxidanyl(propan-2-yl)amino]propoxy]phenoxy]-2-oxidanylidene-ethanoic acid hydrate

Systemtic Name: 2-[4-[2-(2,6-dimethylcyclohexyl)oxy-2-oxidanylidene-ethyl]-3-[3-[oxidanyl(propan-2-yl)amino]propoxy]phenoxy]-2-oxidanylidene-ethanoic acid hydrate Openeye Name: 2-[4-[2-(2,6-dimethylcyclohexoxy)-2-oxo-ethyl]-3-[3-[hydroxy(isopropyl)amino]propoxy]phenoxy]-2-oxo-acetic acid hydrate CAS Name: 2-[4-[2-(2,6-dimethylcyclohexyl)oxy-2-oxoethyl]-3-[3-[hydroxy(propan-2-yl)amino]propoxy]phenoxy]-2-oxoacetic acid hydrate IUPAC Name: 2-[4-[2-(2,6-dimethylcyclohexyl)oxy-2-oxoethyl]-3-[3-[hydroxy(propan-2-yl)amino]propoxy]phenoxy]-2-oxoacetic acid hydrate Traditional Name: 2-[4-[2-(2,6-dimethylcyclohexoxy)-2-keto-ethyl]-3-[3-[hydroxy(isopropyl)amino]propoxy]phenoxy]-2-keto-acetic acid hydrate Formula: C24H37NO9 MolecularWeight: 483.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1OC(=O)CC2=C(C=C(C=C2)OC(=O)C(=O)O)OCCCN(C(C)C)O)C.O

Isomeric SMILES

CC1CCCC(C1OC(=O)CC2=C(C=C(C=C2)OC(=O)C(=O)O)OCCCN(C(C)C)O)C.O

InChI

InChI=1S/C24H35NO8.H2O/c1-15(2)25(30)11-6-12-31-20-14-19(32-24(29)23(27)28)10-9-18(20)13-21(26)33-22-16(3)7-5-8-17(22)4;/h9-10,14-17,22,30H,5-8,11-13H2,1-4H3,(H,27,28);1H2