[2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 2-methylbutanoate

Systemtic Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 2-methylbutanoate Openeye Name: [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[3-(heptoxymethyl)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCOCC1=C(C=CN=C1)C2=CC=CC=C2OC(=O)C(C)CC

InChI

InChI=1S/C24H33NO3/c1-4-6-7-8-11-16-27-18-20-17-25-15-14-21(20)22-12-9-10-13-23(22)28-24(26)19(3)5-2/h9-10,12-15,17,19H,4-8,11,16,18H2,1-3H3