3-phenyl-4-[4-(12-pyrrolidin-1-yldodecoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: 3-phenyl-4-[4-(12-pyrrolidin-1-yldodecoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: 3-phenyl-4-[4-(12-pyrrolidin-1-yldodecoxy)phenyl]chroman-7-ol CAS Name: 3-phenyl-4-[4-[12-(1-pyrrolidinyl)dodecoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 3-phenyl-4-[4-(12-pyrrolidin-1-yldodecoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: 3-phenyl-4-[4-(12-pyrrolidinododecoxy)phenyl]chroman-7-ol Formula: C37H49NO3 MolecularWeight: 555.78986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCCCCCCCCOC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCCCCCCCCCCCOC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C37H49NO3/c39-32-20-23-34-36(28-32)41-29-35(30-16-10-9-11-17-30)37(34)31-18-21-33(22-19-31)40-27-15-8-6-4-2-1-3-5-7-12-24-38-25-13-14-26-38/h9-11,16-23,28,35,37,39H,1-8,12-15,24-27,29H2