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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(N=C1OC)OC)N(CC=CC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=C(N=C(N=C1OC)OC)N(C/C=C/C(=O)OC)CC2=CC=CC=C2

InChI

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