O6-methyl O1-[3-(pyridin-3-ylmethyl)phenyl] 2-methylhexanedioate

Systemtic Name: O6-methyl O1-[3-(pyridin-3-ylmethyl)phenyl] 2-methylhexanedioate Openeye Name: O6-methyl O1-[3-(3-pyridylmethyl)phenyl] 2-methylhexanedioate CAS Name: 2-methylhexanedioic acid O6-methyl ester O1-[3-(3-pyridinylmethyl)phenyl] ester IUPAC Name: 6-O-methyl 1-O-[3-(pyridin-3-ylmethyl)phenyl] 2-methylhexanedioate Traditional Name: 2-methyladipic acid O6-methyl ester O1-[3-(3-pyridylmethyl)phenyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)C(=O)OC1=CC=CC(=C1)CC2=CN=CC=C2

Isomeric SMILES

CC(CCCC(=O)OC)C(=O)OC1=CC=CC(=C1)CC2=CN=CC=C2

InChI

InChI=1S/C20H23NO4/c1-15(6-3-10-19(22)24-2)20(23)25-18-9-4-7-16(13-18)12-17-8-5-11-21-14-17/h4-5,7-9,11,13-15H,3,6,10,12H2,1-2H3