4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylic acid CAS Name: 4-[2-[1-(1-oxobutoxy)ethyl]-4-pyrimidinyl]-2-phenyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(1-butanoyloxyethyl)pyrimidin-4-yl]-2-phenylpiperazine-1-carboxylic acid Traditional Name: 4-[2-(1-butyryloxyethyl)pyrimidin-4-yl]-2-phenyl-piperazine-1-carboxylic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)OC(C)C1=NC=CC(=N1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H26N4O4/c1-3-7-19(26)29-15(2)20-22-11-10-18(23-20)24-12-13-25(21(27)28)17(14-24)16-8-5-4-6-9-16/h4-6,8-11,15,17H,3,7,12-14H2,1-2H3,(H,27,28)