5-[cyclopropyl-(3-nitrophenyl)methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[cyclopropyl-(3-nitrophenyl)methyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[cyclopropyl-(3-nitrophenyl)methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[cyclopropyl-(3-nitrophenyl)methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[cyclopropyl-(3-nitrophenyl)methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[cyclopropyl-(3-nitrophenyl)methyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO5/c1-2-14-26(15-13-18-7-4-3-5-8-18)17-22(28)24(25(29)32-26)23(19-11-12-19)20-9-6-10-21(16-20)27(30)31/h3-10,16,19,23,29H,2,11-15,17H2,1H3