6-pentyl-6-phenyl-3-[phenyl(propyl)amino]oxane-2,4-dione

Systemtic Name: 6-pentyl-6-phenyl-3-[phenyl(propyl)amino]oxane-2,4-dione Openeye Name: 6-pentyl-6-phenyl-3-(N-propylanilino)tetrahydropyran-2,4-dione CAS Name: 6-pentyl-6-phenyl-3-(N-propylanilino)oxane-2,4-dione IUPAC Name: 6-pentyl-6-phenyl-3-(N-propylanilino)oxane-2,4-dione Traditional Name: 6-amyl-6-phenyl-3-(N-propylanilino)tetrahydropyran-2,4-quinone Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(C(=O)O1)N(CCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1(CC(=O)C(C(=O)O1)N(CCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-3-5-12-17-25(20-13-8-6-9-14-20)19-22(27)23(24(28)29-25)26(18-4-2)21-15-10-7-11-16-21/h6-11,13-16,23H,3-5,12,17-19H2,1-2H3