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

Systemtic Name: methyl (E)-4-[(5-methanoyl-2,6-dimethoxy-pyrimidin-4-yl)-(phenylmethyl)amino]hex-2-enoate Openeye Name: methyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]hex-2-enoate CAS Name: (E)-4-[(5-formyl-2,6-dimethoxy-4-pyrimidinyl)-(phenylmethyl)amino]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-4-[benzyl-(5-formyl-2,6-dimethoxypyrimidin-4-yl)amino]hex-2-enoate Traditional Name: (E)-4-[benzyl-(5-formyl-2,6-dimethoxy-pyrimidin-4-yl)amino]hex-2-enoic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CC(=O)OC)N(CC1=CC=CC=C1)C2=C(C(=NC(=N2)OC)OC)C=O

Isomeric SMILES

CCC(/C=C/C(=O)OC)N(CC1=CC=CC=C1)C2=C(C(=NC(=N2)OC)OC)C=O

InChI

InChI=1S/C21H25N3O5/c1-5-16(11-12-18(26)27-2)24(13-15-9-7-6-8-10-15)19-17(14-25)20(28-3)23-21(22-19)29-4/h6-12,14,16H,5,13H2,1-4H3/b12-11+