4-methyl-3-oxidanylidene-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 4-methyl-3-oxidanylidene-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Openeye Name: 4-methyl-3-oxo-2-phenoxy-2-[4-(4-pyridyl)piperazin-1-yl]pentanoic acid CAS Name: 4-methyl-3-oxo-2-phenoxy-2-(4-pyridin-4-yl-1-piperazinyl)pentanoic acid IUPAC Name: 4-methyl-3-oxo-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Traditional Name: 3-keto-4-methyl-2-phenoxy-2-[4-(4-pyridyl)piperazino]valeric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-16(2)19(25)21(20(26)27,28-18-6-4-3-5-7-18)24-14-12-23(13-15-24)17-8-10-22-11-9-17/h3-11,16H,12-15H2,1-2H3,(H,26,27)