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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCCN3C(=O)C(CC(C)C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCCN3C(=O)C(CC(C)C)Cl

InChI

InChI=1S/C29H40ClN3O3/c1-4-5-6-7-8-9-11-22-19-31-27(32-20-22)23-13-15-24(16-14-23)36-29(35)26-12-10-17-33(26)28(34)25(30)18-21(2)3/h13-16,19-21,25-26H,4-12,17-18H2,1-3H3