6-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylamino)-6-methyl-oxane-2,4-dione

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylamino)-6-methyl-oxane-2,4-dione Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-3-(N-phenylanilino)tetrahydropyran-2,4-dione CAS Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-3-(N-phenylanilino)oxane-2,4-dione IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-3-(N-phenylanilino)oxane-2,4-dione Traditional Name: 6-homopiperonyl-6-methyl-3-(N-phenylanilino)tetrahydropyran-2,4-quinone Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)O1)N(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1(CC(=O)C(C(=O)O1)N(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25NO5/c1-27(15-14-19-12-13-23-24(16-19)32-18-31-23)17-22(29)25(26(30)33-27)28(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-18H2,1H3