2-[4-(4-cyanophenyl)-2,2-diethyl-1-piperazin-1-yl-piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(4-cyanophenyl)-2,2-diethyl-1-piperazin-1-yl-piperidin-3-yl]ethanoic acid Openeye Name: 2-[4-(4-cyanophenyl)-2,2-diethyl-1-piperazin-1-yl-3-piperidyl]acetic acid CAS Name: 2-[4-(4-cyanophenyl)-2,2-diethyl-1-(1-piperazinyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[4-(4-cyanophenyl)-2,2-diethyl-1-piperazin-1-ylpiperidin-3-yl]acetic acid Traditional Name: 2-[4-(4-cyanophenyl)-2,2-diethyl-1-piperazino-3-piperidyl]acetic acid Formula: C22H32N4O2 MolecularWeight: 384.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C#N)CC(=O)O)CC

Isomeric SMILES

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C#N)CC(=O)O)CC

InChI

InChI=1S/C22H32N4O2/c1-3-22(4-2)20(15-21(27)28)19(18-7-5-17(16-23)6-8-18)9-12-26(22)25-13-10-24-11-14-25/h5-8,19-20,24H,3-4,9-15H2,1-2H3,(H,27,28)