1-ethylpiperidine; O1-(phenylcarbonyl) O2-(2-phenyl-2-propan-2-yloxy-piperazin-1-yl) ethanedioate; hydrate

Systemtic Name: 1-ethylpiperidine; O1-(phenylcarbonyl) O2-(2-phenyl-2-propan-2-yloxy-piperazin-1-yl) ethanedioate; hydrate Openeye Name: O1-benzoyl O2-(2-isopropoxy-2-phenyl-piperazin-1-yl) oxalate; 1-ethylpiperidine; hydrate CAS Name: 1-ethylpiperidine; oxalic acid O1-benzoyl ester O2-(2-phenyl-2-propan-2-yloxy-1-piperazinyl) ester; hydrate IUPAC Name: 1-O-benzoyl 2-O-(2-phenyl-2-propan-2-yloxypiperazin-1-yl) oxalate; 1-ethylpiperidine; hydrate Traditional Name: 1-ethylpiperidine; oxalic acid O1-benzoyl ester O2-(2-isopropoxy-2-phenyl-piperazino) ester; hydrate Formula: C29H41N3O7 MolecularWeight: 543.65174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC1.CC(C)OC1(CNCCN1OC(=O)C(=O)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3.O

Isomeric SMILES

CCN1CCCCC1.CC(C)OC1(CNCCN1OC(=O)C(=O)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3.O

InChI

InChI=1S/C22H24N2O6.C7H15N.H2O/c1-16(2)29-22(18-11-7-4-8-12-18)15-23-13-14-24(22)30-21(27)20(26)28-19(25)17-9-5-3-6-10-17;1-2-8-6-4-3-5-7-8;/h3-12,16,23H,13-15H2,1-2H3;2-7H2,1H3;1H2