[4-(2-octylpyrimidin-5-yl)phenyl] 1-(2-chloranyl-3-methyl-pentanoyl)pyrrolidine-2-carboxylate

Systemtic Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-(2-chloranyl-3-methyl-pentanoyl)pyrrolidine-2-carboxylate Openeye Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-(2-chloro-3-methyl-pentanoyl)pyrrolidine-2-carboxylate CAS Name: 1-(2-chloro-3-methyl-1-oxopentyl)-2-pyrrolidinecarboxylic acid [4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-(2-chloro-3-methylpentanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-chloro-3-methyl-pentanoyl)pyrrolidine-2-carboxylic acid [4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C29H40ClN3O3 MolecularWeight: 514.0992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCCN3C(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCCN3C(=O)C(C(C)CC)Cl

InChI

InChI=1S/C29H40ClN3O3/c1-4-6-7-8-9-10-13-26-31-19-23(20-32-26)22-14-16-24(17-15-22)36-29(35)25-12-11-18-33(25)28(34)27(30)21(3)5-2/h14-17,19-21,25,27H,4-13,18H2,1-3H3