ethyl (E)-4-[(5-methanoyl-2,6-dimethoxy-pyrimidin-4-yl)-(phenylmethyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-4-[(5-methanoyl-2,6-dimethoxy-pyrimidin-4-yl)-(phenylmethyl)amino]but-2-enoate Openeye Name: ethyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]but-2-enoate CAS Name: (E)-4-[(5-formyl-2,6-dimethoxy-4-pyrimidinyl)-(phenylmethyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxypyrimidin-4-yl)amino]but-2-enoate Traditional Name: (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]but-2-enoic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)OC)OC)C=O

Isomeric SMILES

CCOC(=O)/C=C/CN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)OC)OC)C=O

InChI

InChI=1S/C20H23N3O5/c1-4-28-17(25)11-8-12-23(13-15-9-6-5-7-10-15)18-16(14-24)19(26-2)22-20(21-18)27-3/h5-11,14H,4,12-13H2,1-3H3/b11-8+