calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoate dihydrate

Systemtic Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoate dihydrate Openeye Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxo-ethoxy]phenyl]acetate dihydrate CAS Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxoethoxy]phenyl]acetate dihydrate IUPAC Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxoethoxy]phenyl]acetate dihydrate Traditional Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-keto-ethoxy]phenyl]acetate dihydrate Formula: C16H27CaN2O6+ MolecularWeight: 383.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)COC1=CC=C(C=C1)CC(=O)[O-].O.O.[Ca+2]

Isomeric SMILES

CCN(CC)CCNC(=O)COC1=CC=C(C=C1)CC(=O)[O-].O.O.[Ca+2]

InChI

InChI=1S/C16H24N2O4.Ca.2H2O/c1-3-18(4-2)10-9-17-15(19)12-22-14-7-5-13(6-8-14)11-16(20)21;;;/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21);;2*1H2/q;+2;;/p-1