3-oxidanylidene-2-(piperazin-1-ylmethyl)-2-(4-pyridin-4-ylphenyl)butanoic acid

Systemtic Name: 3-oxidanylidene-2-(piperazin-1-ylmethyl)-2-(4-pyridin-4-ylphenyl)butanoic acid Openeye Name: 3-oxo-2-(piperazin-1-ylmethyl)-2-[4-(4-pyridyl)phenyl]butanoic acid CAS Name: 3-oxo-2-(1-piperazinylmethyl)-2-(4-pyridin-4-ylphenyl)butanoic acid IUPAC Name: 3-oxo-2-(piperazin-1-ylmethyl)-2-(4-pyridin-4-ylphenyl)butanoic acid Traditional Name: 3-keto-2-(piperazinomethyl)-2-[4-(4-pyridyl)phenyl]butyric acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CN1CCNCC1)(C2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC(=O)C(CN1CCNCC1)(C2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-15(24)20(19(25)26,14-23-12-10-22-11-13-23)18-4-2-16(3-5-18)17-6-8-21-9-7-17/h2-9,22H,10-14H2,1H3,(H,25,26)