(3R,4S)-3-(pyridin-3-ylmethyl)-7-[(1S)-1-quinolin-2-ylethoxy]-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: (3R,4S)-3-(pyridin-3-ylmethyl)-7-[(1S)-1-quinolin-2-ylethoxy]-3,4-dihydro-2H-chromen-4-ol Openeye Name: (3R,4S)-3-(3-pyridylmethyl)-7-[(1S)-1-(2-quinolyl)ethoxy]chroman-4-ol CAS Name: (3R,4S)-3-(3-pyridinylmethyl)-7-[(1S)-1-(2-quinolinyl)ethoxy]-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3R,4S)-3-(pyridin-3-ylmethyl)-7-[(1S)-1-quinolin-2-ylethoxy]-3,4-dihydro-2H-chromen-4-ol Traditional Name: (3R,4S)-3-(3-pyridylmethyl)-7-[(1S)-1-(2-quinolyl)ethoxy]chroman-4-ol Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)C(C(CO4)CC5=CN=CC=C5)O

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2C=C1)OC3=CC4=C(C=C3)[C@H]([C@@H](CO4)CC5=CN=CC=C5)O

InChI

InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20+,26-/m0/s1