(E)-4-[[(3R)-1-bromanylpentadecan-3-yl]amino]-5-(oxan-2-yloxy)pent-3-en-2-one

Systemtic Name: (E)-4-[[(3R)-1-bromanylpentadecan-3-yl]amino]-5-(oxan-2-yloxy)pent-3-en-2-one Openeye Name: (E)-4-[[(1R)-1-(2-bromoethyl)tridecyl]amino]-5-tetrahydropyran-2-yloxy-pent-3-en-2-one CAS Name: (E)-4-[[(3R)-1-bromopentadecan-3-yl]amino]-5-(2-oxanyloxy)-3-penten-2-one IUPAC Name: (E)-4-[[(3R)-1-bromopentadecan-3-yl]amino]-5-(oxan-2-yloxy)pent-3-en-2-one Traditional Name: (E)-4-[[(1R)-1-(2-bromoethyl)tridecyl]amino]-5-tetrahydropyran-2-yloxy-pent-3-en-2-one Formula: C25H46BrNO3 MolecularWeight: 488.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCBr)NC(=CC(=O)C)COC1CCCCO1

Isomeric SMILES

CCCCCCCCCCCC[C@H](CCBr)N/C(=C/C(=O)C)/COC1CCCCO1

InChI

InChI=1S/C25H46BrNO3/c1-3-4-5-6-7-8-9-10-11-12-15-23(17-18-26)27-24(20-22(2)28)21-30-25-16-13-14-19-29-25/h20,23,25,27H,3-19,21H2,1-2H3/b24-20+/t23-,25?/m1/s1