3-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-isopropoxy-4-[2-phenyl-6-(3-pyridylmethyl)phenyl]cyclobut-3-ene-1,2-dione CAS Name: 3-[2-phenyl-6-(3-pyridinylmethyl)phenyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[2-phenyl-6-(pyridin-3-ylmethyl)phenyl]-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-isopropoxy-4-[2-phenyl-6-(3-pyridylmethyl)phenyl]cyclobut-3-ene-1,2-quinone Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)C2=C(C=CC=C2CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)C2=C(C=CC=C2CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO3/c1-16(2)29-25-22(23(27)24(25)28)21-19(14-17-8-7-13-26-15-17)11-6-12-20(21)18-9-4-3-5-10-18/h3-13,15-16H,14H2,1-2H3