2-[3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-ethynyl-cyclobutyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-ethynyl-cyclobutyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclobutyl]isoindoline-1,3-dione CAS Name: 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynylcyclobutyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-3-ethynylcyclobutyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-ethynyl-cyclobutyl]isoindoline-1,3-quinone Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(C2)N3C(=O)C4=CC=CC=C4C3=O)C#C)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(C2)N3C(=O)C4=CC=CC=C4C3=O)C#C)OC5CCCC5

InChI

InChI=1S/C26H25NO4/c1-3-26(17-12-13-22(30-2)23(14-17)31-19-8-4-5-9-19)15-18(16-26)27-24(28)20-10-6-7-11-21(20)25(27)29/h1,6-7,10-14,18-19H,4-5,8-9,15-16H2,2H3