1-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl propanoate

Systemtic Name: 1-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl propanoate Openeye Name: [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] propanoate CAS Name: propanoic acid 1-[(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)oxypropan-2-yl propanoate Traditional Name: propionic acid [1-methyl-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C29H44O4 MolecularWeight: 456.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CC

InChI

InChI=1S/C29H44O4/c1-4-6-7-8-9-10-11-12-16-23-31-29(32-24-25(3)33-28(30)5-2)21-19-27(20-22-29)26-17-14-13-15-18-26/h13-15,17-22,25,27H,4-12,16,23-24H2,1-3H3