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

Systemtic Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 4-methylhexanoate Openeye Name: [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-[3-(heptoxymethyl)-4-pyridinyl]phenyl] ester IUPAC Name: [2-[3-(heptoxymethyl)pyridin-4-yl]phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-[3-(heptoxymethyl)-4-pyridyl]phenyl] ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3/c1-4-6-7-8-11-18-29-20-22-19-27-17-16-23(22)24-12-9-10-13-25(24)30-26(28)15-14-21(3)5-2/h9-10,12-13,16-17,19,21H,4-8,11,14-15,18,20H2,1-3H3