(4-pyrimidin-2-ylphenyl) 4-(2-methylbutanoylamino)benzoate

Systemtic Name: (4-pyrimidin-2-ylphenyl) 4-(2-methylbutanoylamino)benzoate Openeye Name: (4-pyrimidin-2-ylphenyl) 4-(2-methylbutanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxobutyl)amino]benzoic acid [4-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-pyrimidin-2-ylphenyl) 4-(2-methylbutanoylamino)benzoate Traditional Name: 4-(2-methylbutanoylamino)benzoic acid [4-(2-pyrimidyl)phenyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

InChI

InChI=1S/C22H21N3O3/c1-3-15(2)21(26)25-18-9-5-17(6-10-18)22(27)28-19-11-7-16(8-12-19)20-23-13-4-14-24-20/h4-15H,3H2,1-2H3,(H,25,26)