2-methylbutyl (E)-3-(4-tetradecoxyphenyl)but-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-(4-tetradecoxyphenyl)but-2-enoate Openeye Name: 2-methylbutyl (E)-3-(4-tetradecoxyphenyl)but-2-enoate CAS Name: (E)-3-(4-tetradecoxyphenyl)-2-butenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-(4-tetradecoxyphenyl)but-2-enoate Traditional Name: (E)-3-(4-myristyloxyphenyl)but-2-enoic acid 2-methylbutyl ester Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=CC(=O)OCC(C)CC)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)/C(=C/C(=O)OCC(C)CC)/C

InChI

InChI=1S/C29H48O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-31-28-20-18-27(19-21-28)26(4)23-29(30)32-24-25(3)6-2/h18-21,23,25H,5-17,22,24H2,1-4H3/b26-23+