calcium; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol; 2-ethylbutanoate

Systemtic Name: calcium; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol; 2-ethylbutanoate Openeye Name: calcium; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol; 2-ethylbutanoate CAS Name: calcium; 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethanol; 2-ethylbutanoate IUPAC Name: calcium; 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol; 2-ethylbutanoate Traditional Name: calcium; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]ethanol; 2-ethylbutyrate Formula: C33H49CaClN2O6 MolecularWeight: 645.28296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Ca+2]

Isomeric SMILES

CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Ca+2]

InChI

InChI=1S/C21H27ClN2O2.2C6H12O2.Ca/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;2*1-3-5(4-2)6(7)8;/h1-9,21,25H,10-17H2;2*5H,3-4H2,1-2H3,(H,7,8);/q;;;+2/p-2