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

Systemtic Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoate Openeye Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxo-ethoxy]phenyl]acetate CAS Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxoethoxy]phenyl]acetate IUPAC Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-oxoethoxy]phenyl]acetate Traditional Name: calcium 2-[4-[2-(2-diethylaminoethylamino)-2-keto-ethoxy]phenyl]acetate Formula: C32H46CaN4O8 MolecularWeight: 654.80764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H24N2O4.Ca/c2*1-3-18(4-2)10-9-17-15(19)12-22-14-7-5-13(6-8-14)11-16(20)21;/h2*5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2