[(E)-2-methoxycarbonyl-4-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enyl] benzoate

Systemtic Name: [(E)-2-methoxycarbonyl-4-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enyl] benzoate Openeye Name: [(E)-4-[5-(benzyloxycarbonylamino)-6-oxo-2-phenyl-pyrimidin-1-yl]-2-methoxycarbonyl-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-methoxycarbonyl-4-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]but-2-enyl] ester IUPAC Name: [(E)-2-methoxycarbonyl-4-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-[5-(benzyloxycarbonylamino)-6-keto-2-phenyl-pyrimidin-1-yl]-2-carbomethoxy-but-2-enyl] ester Formula: C31H27N3O7 MolecularWeight: 553.56198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CCN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)/C(=C/CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)/COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H27N3O7/c1-39-29(36)25(21-40-30(37)24-15-9-4-10-16-24)17-18-34-27(23-13-7-3-8-14-23)32-19-26(28(34)35)33-31(38)41-20-22-11-5-2-6-12-22/h2-17,19H,18,20-21H2,1H3,(H,33,38)/b25-17+