3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(quinolin-2-ylmethyl)amino]cyclopent-2-en-1-one

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(quinolin-2-ylmethyl)amino]cyclopent-2-en-1-one Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one CAS Name: 3-[3-cyclopentyloxy-4-methoxy-N-(2-quinolinylmethyl)anilino]-1-cyclopent-2-enone IUPAC Name: 3-[3-cyclopentyloxy-4-methoxy-N-(quinolin-2-ylmethyl)anilino]cyclopent-2-en-1-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-N-(2-quinolylmethyl)anilino]cyclopent-2-en-1-one Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=NC3=CC=CC=C3C=C2)C4=CC(=O)CC4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=NC3=CC=CC=C3C=C2)C4=CC(=O)CC4)OC5CCCC5

InChI

InChI=1S/C27H28N2O3/c1-31-26-15-13-22(17-27(26)32-24-7-3-4-8-24)29(21-12-14-23(30)16-21)18-20-11-10-19-6-2-5-9-25(19)28-20/h2,5-6,9-11,13,15-17,24H,3-4,7-8,12,14,18H2,1H3