(E)-3-(2-methoxypyrimidin-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(2-methoxypyrimidin-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(2-methoxypyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-(2-methoxy-5-pyrimidinyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(2-methoxypyrimidin-5-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(2-methoxypyrimidin-5-yl)acrylic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C=C(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=NC=C(C=N1)/C=C(\C(=O)O)/NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O5/c1-23-15-17-8-12(9-18-15)7-13(14(20)21)19-16(22)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,19,22)(H,20,21)/b13-7+