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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-(2-chloranyl-4-methyl-pentanoyl)piperidine-4-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-(2-chloro-4-methyl-pentanoyl)piperidine-4-carboxylate CAS Name: 1-(2-chloro-4-methyl-1-oxopentyl)-4-piperidinecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-(2-chloro-4-methylpentanoyl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-4-methyl-pentanoyl)isonipecotic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C30H42ClN3O3 MolecularWeight: 528.12578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C(CC(C)C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)C(CC(C)C)Cl

InChI

InChI=1S/C30H42ClN3O3/c1-4-5-6-7-8-9-10-23-20-32-28(33-21-23)24-11-13-26(14-12-24)37-30(36)25-15-17-34(18-16-25)29(35)27(31)19-22(2)3/h11-14,20-22,25,27H,4-10,15-19H2,1-3H3