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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CCN1CC)N2CCN(CC2)C3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

CCC1C(C(CCN1CC)N2CCN(CC2)C3=CC=C(C=C3)C#N)CC(=O)O

InChI

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