O4-octyl O1-phenyl 2-(4-octylpyrimidin-5-yl)piperidine-1,4-dicarboxylate

Systemtic Name: O4-octyl O1-phenyl 2-(4-octylpyrimidin-5-yl)piperidine-1,4-dicarboxylate Openeye Name: O4-octyl O1-phenyl 2-(4-octylpyrimidin-5-yl)piperidine-1,4-dicarboxylate CAS Name: 2-(4-octyl-5-pyrimidinyl)piperidine-1,4-dicarboxylic acid O4-octyl ester O1-phenyl ester IUPAC Name: 4-O-octyl 1-O-phenyl 2-(4-octylpyrimidin-5-yl)piperidine-1,4-dicarboxylate Traditional Name: 2-(4-octylpyrimidin-5-yl)piperidine-1,4-dicarboxylic acid O4-octyl ester O1-phenyl ester Formula: C33H49N3O4 MolecularWeight: 551.75986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=NC=C1C2CC(CCN2C(=O)OC3=CC=CC=C3)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC=NC=C1C2CC(CCN2C(=O)OC3=CC=CC=C3)C(=O)OCCCCCCCC

InChI

InChI=1S/C33H49N3O4/c1-3-5-7-9-11-16-20-30-29(25-34-26-35-30)31-24-27(32(37)39-23-17-12-10-8-6-4-2)21-22-36(31)33(38)40-28-18-14-13-15-19-28/h13-15,18-19,25-27,31H,3-12,16-17,20-24H2,1-2H3