[[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] benzoate

Systemtic Name: [[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] benzoate Openeye Name: [[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] benzoate CAS Name: benzoic acid [[6-(4-tert-butylphenyl)-4-pyrimidinyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] ester IUPAC Name: [[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] benzoate Traditional Name: benzoic acid [[6-(4-tert-butylphenyl)pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl] ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC=N2)C(C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC=N2)C(C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O4/c1-30(2,3)23-12-9-20(10-13-23)24-18-25(32-19-31-24)28(36-29(33)21-7-5-4-6-8-21)22-11-14-26-27(17-22)35-16-15-34-26/h4-14,17-19,28H,15-16H2,1-3H3