(3R,4S)-3-[(3-methoxyphenyl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: (3R,4S)-3-[(3-methoxyphenyl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Openeye Name: (3R,4S)-3-[(3-methoxyphenyl)methyl]-6-(2-quinolylmethoxy)chroman-4-ol CAS Name: (3R,4S)-3-[(3-methoxyphenyl)methyl]-6-(2-quinolinylmethoxy)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3R,4S)-3-[(3-methoxyphenyl)methyl]-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol Traditional Name: (3R,4S)-3-m-anisyl-6-(2-quinolylmethoxy)chroman-4-ol Formula: C27H25NO4 MolecularWeight: 427.4917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2COC3=C(C2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@H]2COC3=C([C@H]2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25NO4/c1-30-22-7-4-5-18(14-22)13-20-16-32-26-12-11-23(15-24(26)27(20)29)31-17-21-10-9-19-6-2-3-8-25(19)28-21/h2-12,14-15,20,27,29H,13,16-17H2,1H3/t20-,27+/m1/s1