[4-[(E)-3-(2,4-dibutoxy-5-propyl-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[(E)-3-(2,4-dibutoxy-5-propyl-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[(E)-3-(2,4-dibutoxy-5-propyl-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(E)-3-(2,4-dibutoxy-5-propylphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2,4-dibutoxy-5-propylphenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(E)-3-(2,4-dibutoxy-5-propyl-phenyl)acryloyl]phenyl] ester Formula: C31H42O5 MolecularWeight: 494.66218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)CCC)OCCCC

Isomeric SMILES

CCCCOC1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)CCC)OCCCC

InChI

InChI=1S/C31H42O5/c1-7-10-19-34-28-22-29(35-20-11-8-2)25(21-24(28)12-9-3)15-18-27(32)23-13-16-26(17-14-23)36-30(33)31(4,5)6/h13-18,21-22H,7-12,19-20H2,1-6H3/b18-15+