5-oxidanyl-5-phenyl-1-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-4-ene-2,3-dione

Systemtic Name: 5-oxidanyl-5-phenyl-1-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-4-ene-2,3-dione Openeye Name: 5-hydroxy-5-phenyl-1-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-4-ene-2,3-dione CAS Name: 5-hydroxy-5-phenyl-1-(1-spiro[4H-isoquinoline-3,1'-cyclohexane]yl)-4-pentene-2,3-dione IUPAC Name: 5-hydroxy-5-phenyl-1-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-ylpent-4-ene-2,3-dione Traditional Name: 5-hydroxy-5-phenyl-1-spiro[4H-isoquinoline-3,1'-cyclohexane]-1-yl-pent-4-ene-2,3-dione Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)CC(=O)C(=O)C=C(C4=CC=CC=C4)O

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C(=N2)CC(=O)C(=O)C=C(C4=CC=CC=C4)O

InChI

InChI=1S/C25H25NO3/c27-22(18-9-3-1-4-10-18)16-24(29)23(28)15-21-20-12-6-5-11-19(20)17-25(26-21)13-7-2-8-14-25/h1,3-6,9-12,16,27H,2,7-8,13-15,17H2