[2-(hexylamino)-2-phenyl-pyrimidin-1-yl] benzoate

Systemtic Name: [2-(hexylamino)-2-phenyl-pyrimidin-1-yl] benzoate Openeye Name: [2-(hexylamino)-2-phenyl-pyrimidin-1-yl] benzoate CAS Name: benzoic acid [2-(hexylamino)-2-phenyl-1-pyrimidinyl] ester IUPAC Name: [2-(hexylamino)-2-phenylpyrimidin-1-yl] benzoate Traditional Name: benzoic acid [2-(hexylamino)-2-phenyl-pyrimidin-1-yl] ester Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1(N=CC=CN1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC1(N=CC=CN1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-2-3-4-11-17-24-23(21-15-9-6-10-16-21)25-18-12-19-26(23)28-22(27)20-13-7-5-8-14-20/h5-10,12-16,18-19,24H,2-4,11,17H2,1H3