[4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate

Systemtic Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate Openeye Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate CAS Name: 5-phenylpentanoic acid [4,6-dimethyl-2-(2-phenylhexylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate Traditional Name: 5-phenylvaleric acid [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] ester Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)CCCCC2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)CCCCC2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C29H37N3O2/c1-4-5-17-26(25-18-10-7-11-19-25)21-30-29-31-22(2)28(23(3)32-29)34-27(33)20-13-12-16-24-14-8-6-9-15-24/h6-11,14-15,18-19,26H,4-5,12-13,16-17,20-21H2,1-3H3,(H,30,31,32)