2-[3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-9-azaspiro[5.5]undecan-9-yl]ethanoic acid

Systemtic Name: 2-[3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-9-azaspiro[5.5]undecan-9-yl]ethanoic acid Openeye Name: 2-[3-[4-(4-pyridyl)piperazine-1-carbonyl]-9-azaspiro[5.5]undecan-9-yl]acetic acid CAS Name: 2-[3-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-9-azaspiro[5.5]undecan-9-yl]acetic acid IUPAC Name: 2-[3-(4-pyridin-4-ylpiperazine-1-carbonyl)-9-azaspiro[5.5]undecan-9-yl]acetic acid Traditional Name: 2-[3-[4-(4-pyridyl)piperazine-1-carbonyl]-9-azaspiro[5.5]undecan-9-yl]acetic acid Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)N3CCN(CC3)C4=CC=NC=C4)CCN(CC2)CC(=O)O

Isomeric SMILES

C1CC2(CCC1C(=O)N3CCN(CC3)C4=CC=NC=C4)CCN(CC2)CC(=O)O

InChI

InChI=1S/C22H32N4O3/c27-20(28)17-24-11-7-22(8-12-24)5-1-18(2-6-22)21(29)26-15-13-25(14-16-26)19-3-9-23-10-4-19/h3-4,9-10,18H,1-2,5-8,11-17H2,(H,27,28)