[4-[(E)-3-(2,6-dibutoxy-3-prop-2-enyl-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[(E)-3-(2,6-dibutoxy-3-prop-2-enyl-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[(E)-3-(3-allyl-2,6-dibutoxy-phenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(E)-3-(2,6-dibutoxy-3-prop-2-enylphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2,6-dibutoxy-3-prop-2-enylphenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(E)-3-(3-allyl-2,6-dibutoxy-phenyl)acryloyl]phenyl] ester Formula: C31H40O5 MolecularWeight: 492.6463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40O5/c1-7-10-21-34-28-20-15-24(12-9-3)29(35-22-11-8-2)26(28)18-19-27(32)23-13-16-25(17-14-23)36-30(33)31(4,5)6/h9,13-20H,3,7-8,10-12,21-22H2,1-2,4-6H3/b19-18+