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

Systemtic Name: 2-[[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-phenyl]-(quinolin-2-ylmethyl)amino]cyclopent-2-en-1-one Openeye Name: 2-[3-indan-2-yloxy-4-methoxy-N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one CAS Name: 2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(2-quinolinylmethyl)anilino]-1-cyclopent-2-enone IUPAC Name: 2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-(quinolin-2-ylmethyl)anilino]cyclopent-2-en-1-one Traditional Name: 2-[3-indan-2-yloxy-4-methoxy-N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one Formula: C31H28N2O3 MolecularWeight: 476.56562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=NC3=CC=CC=C3C=C2)C4=CCCC4=O)OC5CC6=CC=CC=C6C5

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=NC3=CC=CC=C3C=C2)C4=CCCC4=O)OC5CC6=CC=CC=C6C5

InChI

InChI=1S/C31H28N2O3/c1-35-30-16-15-25(19-31(30)36-26-17-22-8-2-3-9-23(22)18-26)33(28-11-6-12-29(28)34)20-24-14-13-21-7-4-5-10-27(21)32-24/h2-5,7-11,13-16,19,26H,6,12,17-18,20H2,1H3