tert-butylazanium; 2-ethoxy-3-[4-[2-(2-ethyl-4-oxidanylidene-6-phenyl-pyrimidin-1-yl)ethoxy]phenyl]propanoate

Systemtic Name: tert-butylazanium; 2-ethoxy-3-[4-[2-(2-ethyl-4-oxidanylidene-6-phenyl-pyrimidin-1-yl)ethoxy]phenyl]propanoate Openeye Name: tert-butylammonium; 2-ethoxy-3-[4-[2-(2-ethyl-4-oxo-6-phenyl-pyrimidin-1-yl)ethoxy]phenyl]propanoate CAS Name: tert-butylammonium; 2-ethoxy-3-[4-[2-(2-ethyl-4-oxo-6-phenyl-1-pyrimidinyl)ethoxy]phenyl]propanoate IUPAC Name: tert-butylazanium; 2-ethoxy-3-[4-[2-(2-ethyl-4-oxo-6-phenylpyrimidin-1-yl)ethoxy]phenyl]propanoate Traditional Name: tert-butylammonium; 2-ethoxy-3-[4-[2-(2-ethyl-4-keto-6-phenyl-pyrimidin-1-yl)ethoxy]phenyl]propionate Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C=C(N1CCOC2=CC=C(C=C2)CC(C(=O)[O-])OCC)C3=CC=CC=C3.CC(C)(C)[NH3+]

Isomeric SMILES

CCC1=NC(=O)C=C(N1CCOC2=CC=C(C=C2)CC(C(=O)[O-])OCC)C3=CC=CC=C3.CC(C)(C)[NH3+]

InChI

InChI=1S/C25H28N2O5.C4H11N/c1-3-23-26-24(28)17-21(19-8-6-5-7-9-19)27(23)14-15-32-20-12-10-18(11-13-20)16-22(25(29)30)31-4-2;1-4(2,3)5/h5-13,17,22H,3-4,14-16H2,1-2H3,(H,29,30);5H2,1-3H3