3-[[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-phenyl]-(pyridin-2-ylmethyl)amino]cyclohex-2-en-1-one

Systemtic Name: 3-[[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-phenyl]-(pyridin-2-ylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 3-[3-indan-2-yloxy-4-methoxy-N-(2-pyridylmethyl)anilino]cyclohex-2-en-1-one CAS Name: 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(2-pyridinylmethyl)anilino]-1-cyclohex-2-enone IUPAC Name: 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(pyridin-2-ylmethyl)anilino]cyclohex-2-en-1-one Traditional Name: 3-[3-indan-2-yloxy-4-methoxy-N-(2-pyridylmethyl)anilino]cyclohex-2-en-1-one Formula: C28H28N2O3 MolecularWeight: 440.53352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CC=CC=N2)C3=CC(=O)CCC3)OC4CC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CC=CC=N2)C3=CC(=O)CCC3)OC4CC5=CC=CC=C5C4

InChI

InChI=1S/C28H28N2O3/c1-32-27-13-12-24(18-28(27)33-26-15-20-7-2-3-8-21(20)16-26)30(19-22-9-4-5-14-29-22)23-10-6-11-25(31)17-23/h2-5,7-9,12-14,17-18,26H,6,10-11,15-16,19H2,1H3