ethyl (E)-5-[2-acetamido-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pent-4-enoate

Systemtic Name: ethyl (E)-5-[2-acetamido-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pent-4-enoate Openeye Name: ethyl (E)-5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pent-4-enoate CAS Name: (E)-5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pent-4-enoate Traditional Name: (E)-5-[2-acetamido-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pent-4-enoic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC=CC1=C(C(=O)N=C(N1)NC(=O)C)CCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC/C=C/C1=C(C(=O)N=C(N1)NC(=O)C)CCCCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O4/c1-3-30-21(28)16-10-9-15-20-19(22(29)26-23(25-20)24-17(2)27)14-8-7-13-18-11-5-4-6-12-18/h4-6,9,11-12,15H,3,7-8,10,13-14,16H2,1-2H3,(H2,24,25,26,27,29)/b15-9+