2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(pyridin-4-ylmethyl)indene-1,3-dione

Systemtic Name: 2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(pyridin-4-ylmethyl)indene-1,3-dione Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(4-pyridylmethyl)indane-1,3-dione CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(pyridin-4-ylmethyl)indene-1,3-dione IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(pyridin-4-ylmethyl)indene-1,3-dione Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(4-pyridylmethyl)indane-1,3-quinone Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=NC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=NC=C4)OC5CCCC5

InChI

InChI=1S/C27H25NO4/c1-31-23-11-10-19(16-24(23)32-20-6-2-3-7-20)27(17-18-12-14-28-15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3