2-[2-tert-butyl-4-[4-(4-cyanophenyl)piperazin-1-yl]-3-methyl-piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-tert-butyl-4-[4-(4-cyanophenyl)piperazin-1-yl]-3-methyl-piperidin-1-yl]ethanoic acid Openeye Name: 2-[2-tert-butyl-4-[4-(4-cyanophenyl)piperazin-1-yl]-3-methyl-1-piperidyl]acetic acid CAS Name: 2-[2-tert-butyl-4-[4-(4-cyanophenyl)-1-piperazinyl]-3-methyl-1-piperidinyl]acetic acid IUPAC Name: 2-[2-tert-butyl-4-[4-(4-cyanophenyl)piperazin-1-yl]-3-methylpiperidin-1-yl]acetic acid Traditional Name: 2-[2-tert-butyl-4-[4-(4-cyanophenyl)piperazino]-3-methyl-piperidino]acetic acid Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCN(C1C(C)(C)C)CC(=O)O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1C(CCN(C1C(C)(C)C)CC(=O)O)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H34N4O2/c1-17-20(9-10-27(16-21(28)29)22(17)23(2,3)4)26-13-11-25(12-14-26)19-7-5-18(15-24)6-8-19/h5-8,17,20,22H,9-14,16H2,1-4H3,(H,28,29)