3-oxidanylidene-2-(piperidin-4-ylmethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 3-oxidanylidene-2-(piperidin-4-ylmethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Openeye Name: 3-oxo-2-(4-piperidylmethyl)-2-[4-(4-pyridyl)piperazin-1-yl]pentanoic acid CAS Name: 3-oxo-2-(4-piperidinylmethyl)-2-(4-pyridin-4-yl-1-piperazinyl)pentanoic acid IUPAC Name: 3-oxo-2-(piperidin-4-ylmethyl)-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Traditional Name: 3-keto-2-(4-piperidylmethyl)-2-[4-(4-pyridyl)piperazino]valeric acid Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1CCNCC1)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCC(=O)C(CC1CCNCC1)(C(=O)O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H30N4O3/c1-2-18(25)20(19(26)27,15-16-3-7-21-8-4-16)24-13-11-23(12-14-24)17-5-9-22-10-6-17/h5-6,9-10,16,21H,2-4,7-8,11-15H2,1H3,(H,26,27)