[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate

Systemtic Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate Openeye Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate CAS Name: 5-phenylpentanoic acid [4,6-dimethyl-2-(1-phenylhexylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] 5-phenylpentanoate Traditional Name: 5-phenylvaleric acid [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] ester Formula: C29H37N3O2 MolecularWeight: 459.62298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)CCCCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)CCCCC3=CC=CC=C3)C

InChI

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