1-(3-phenyl-4-propyl-phenoxy)propan-2-yl 4-methylhexanoate

Systemtic Name: 1-(3-phenyl-4-propyl-phenoxy)propan-2-yl 4-methylhexanoate Openeye Name: [1-methyl-2-(3-phenyl-4-propyl-phenoxy)ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-(3-phenyl-4-propylphenoxy)propan-2-yl ester IUPAC Name: 1-(3-phenyl-4-propylphenoxy)propan-2-yl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [1-methyl-2-(3-phenyl-4-propyl-phenoxy)ethyl] ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)OCC(C)OC(=O)CCC(C)CC)C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C=C(C=C1)OCC(C)OC(=O)CCC(C)CC)C2=CC=CC=C2

InChI

InChI=1S/C25H34O3/c1-5-10-21-14-15-23(17-24(21)22-11-8-7-9-12-22)27-18-20(4)28-25(26)16-13-19(3)6-2/h7-9,11-12,14-15,17,19-20H,5-6,10,13,16,18H2,1-4H3