5-[1-(3-aminophenyl)-2,2-dimethyl-propyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[1-(3-aminophenyl)-2,2-dimethyl-propyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 5-[1-(3-aminophenyl)-2,2-dimethyl-propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 5-[1-(3-aminophenyl)-2,2-dimethylpropyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 5-[1-(3-aminophenyl)-2,2-dimethylpropyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 5-[1-(3-aminophenyl)-2,2-dimethyl-propyl]-6-hydroxy-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(C2=CC(=CC=C2)N)C(C)(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)C(C2=CC(=CC=C2)N)C(C)(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C27H35NO3/c1-5-15-27(16-14-19-10-7-6-8-11-19)18-22(29)23(25(30)31-27)24(26(2,3)4)20-12-9-13-21(28)17-20/h6-13,17,24,30H,5,14-16,18,28H2,1-4H3