(E)-1-[(2S,5S)-2,5-dinaphthalen-2-ylpyrrolidin-1-yl]octadec-2-en-1-one

Systemtic Name: (E)-1-[(2S,5S)-2,5-dinaphthalen-2-ylpyrrolidin-1-yl]octadec-2-en-1-one Openeye Name: (E)-1-[(2S,5S)-2,5-bis(2-naphthyl)pyrrolidin-1-yl]octadec-2-en-1-one CAS Name: (E)-1-[(2S,5S)-2,5-bis(2-naphthalenyl)-1-pyrrolidinyl]-2-octadecen-1-one IUPAC Name: (E)-1-[(2S,5S)-2,5-dinaphthalen-2-ylpyrrolidin-1-yl]octadec-2-en-1-one Traditional Name: (E)-1-[(2S,5S)-2,5-bis(2-naphthyl)pyrrolidino]octadec-2-en-1-one Formula: C42H53NO MolecularWeight: 587.87632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)N1C(CCC1C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)N1[C@@H](CC[C@H]1C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C42H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-42(44)43-40(38-28-26-34-21-17-19-23-36(34)32-38)30-31-41(43)39-29-27-35-22-18-20-24-37(35)33-39/h16-29,32-33,40-41H,2-15,30-31H2,1H3/b25-16+/t40-,41-/m0/s1