1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C25H36O3/c1-4-6-11-17-25(27-20-21(3)28-24(26)14-7-5-2)18-15-23(16-19-25)22-12-9-8-10-13-22/h8-10,12-13,15-16,18-19,21,23H,4-7,11,14,17,20H2,1-3H3