methyl (E)-2-(acetyloxymethyl)-4-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-2-(acetyloxymethyl)-4-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enoate Openeye Name: methyl (E)-2-(acetoxymethyl)-4-[5-(benzyloxycarbonylamino)-6-oxo-2-phenyl-pyrimidin-1-yl]but-2-enoate CAS Name: (E)-2-(acetyloxymethyl)-4-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(acetyloxymethyl)-4-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enoate Traditional Name: (E)-2-(acetoxymethyl)-4-[5-(benzyloxycarbonylamino)-6-keto-2-phenyl-pyrimidin-1-yl]but-2-enoic acid methyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=CCN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)OC/C(=C\CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C26H25N3O7/c1-18(30)35-17-21(25(32)34-2)13-14-29-23(20-11-7-4-8-12-20)27-15-22(24(29)31)28-26(33)36-16-19-9-5-3-6-10-19/h3-13,15H,14,16-17H2,1-2H3,(H,28,33)/b21-13+