O1-methyl O2-(phenylmethyl) 4-(2-methylpyridin-4-yl)piperazine-1,2-dicarboxylate

Systemtic Name: O1-methyl O2-(phenylmethyl) 4-(2-methylpyridin-4-yl)piperazine-1,2-dicarboxylate Openeye Name: O2-benzyl O1-methyl 4-(2-methyl-4-pyridyl)piperazine-1,2-dicarboxylate CAS Name: 4-(2-methyl-4-pyridinyl)piperazine-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 1-O-methyl 4-(2-methylpyridin-4-yl)piperazine-1,2-dicarboxylate Traditional Name: 4-(2-methyl-4-pyridyl)piperazine-1,2-dicarboxylic acid O2-benzyl ester O1-methyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCN(C(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NC=CC(=C1)N2CCN(C(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O4/c1-15-12-17(8-9-21-15)22-10-11-23(20(25)26-2)18(13-22)19(24)27-14-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-14H2,1-2H3