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

Systemtic Name: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl heptanoate Openeye Name: [1-methyl-2-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid [2-(1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-1-methyl-ethyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCC(=O)OC(C)COC1(C=CC(C=C1)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C27H40O3/c1-4-6-8-12-16-26(28)30-23(3)22-29-27(19-13-7-5-2)20-17-25(18-21-27)24-14-10-9-11-15-24/h9-11,14-15,17-18,20-21,23,25H,4-8,12-13,16,19,22H2,1-3H3