[(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] 4-bromanylbenzoate

Systemtic Name: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] 4-bromanylbenzoate Openeye Name: [(E,1R)-1-ethyl-2-methyl-3-(3-phenoxyphenyl)allyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] ester IUPAC Name: [(E,3R)-2-methyl-1-(3-phenoxyphenyl)pent-1-en-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E,1R)-1-ethyl-2-methyl-3-(3-phenoxyphenyl)allyl] ester Formula: C25H23BrO3 MolecularWeight: 451.35232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=CC1=CC(=CC=C1)OC2=CC=CC=C2)C)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC[C@H](/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H23BrO3/c1-3-24(29-25(27)20-12-14-21(26)15-13-20)18(2)16-19-8-7-11-23(17-19)28-22-9-5-4-6-10-22/h4-17,24H,3H2,1-2H3/b18-16+/t24-/m1/s1