1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 3-methylpentanoate

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 3-methylpentanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] 3-methylpentanoate CAS Name: 3-methylpentanoic 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 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O3/c1-5-7-11-16-26(28-20-22(4)29-25(27)19-21(3)6-2)17-14-24(15-18-26)23-12-9-8-10-13-23/h8-10,12-15,17-18,21-22,24H,5-7,11,16,19-20H2,1-4H3