(3S)-3-azaniumyl-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(4-ethoxyphenyl)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoate Traditional Name: (3S)-3-ammonio-3-(2-p-phenetylpyrimidin-5-yl)propionate Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC=C(C=N2)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H17N3O3/c1-2-21-12-5-3-10(4-6-12)15-17-8-11(9-18-15)13(16)7-14(19)20/h3-6,8-9,13H,2,7,16H2,1H3,(H,19,20)/t13-/m0/s1