ethyl 2-[6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[6-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methylpyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-butyl-5-(3-cyano-4-phenyl-benzyl)-2-methyl-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)OCC(=O)OCC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)OCC(=O)OCC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H29N3O3/c1-4-6-12-25-24(27(30-19(3)29-25)33-18-26(31)32-5-2)16-20-13-14-23(22(15-20)17-28)21-10-8-7-9-11-21/h7-11,13-15H,4-6,12,16,18H2,1-3H3