3-[2-methoxy-3-[(4-methylphenyl)methoxy]phenyl]octanoate

Systemtic Name: 3-[2-methoxy-3-[(4-methylphenyl)methoxy]phenyl]octanoate Openeye Name: 3-[2-methoxy-3-(p-tolylmethoxy)phenyl]octanoate CAS Name: 3-[2-methoxy-3-[(4-methylphenyl)methoxy]phenyl]octanoate IUPAC Name: 3-[2-methoxy-3-[(4-methylphenyl)methoxy]phenyl]octanoate Traditional Name: 3-[2-methoxy-3-(4-methylbenzyl)oxy-phenyl]caprylate Formula: C23H29O4- MolecularWeight: 369.47396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)[O-])C1=C(C(=CC=C1)OCC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCCCC(CC(=O)[O-])C1=C(C(=CC=C1)OCC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C23H30O4/c1-4-5-6-8-19(15-22(24)25)20-9-7-10-21(23(20)26-3)27-16-18-13-11-17(2)12-14-18/h7,9-14,19H,4-6,8,15-16H2,1-3H3,(H,24,25)/p-1