1-[5-methyl-3-(3-oxidanylidenebutanoyl)-2-phenylmethoxy-phenyl]butane-1,3-dione

Systemtic Name: 1-[5-methyl-3-(3-oxidanylidenebutanoyl)-2-phenylmethoxy-phenyl]butane-1,3-dione Openeye Name: 1-[2-benzyloxy-5-methyl-3-(3-oxobutanoyl)phenyl]butane-1,3-dione CAS Name: 1-[3-(1,3-dioxobutyl)-5-methyl-2-phenylmethoxyphenyl]butane-1,3-dione IUPAC Name: 1-[5-methyl-3-(3-oxobutanoyl)-2-phenylmethoxyphenyl]butane-1,3-dione Traditional Name: 1-(3-acetoacetyl-2-benzoxy-5-methyl-phenyl)butane-1,3-dione Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)CC(=O)C)OCC2=CC=CC=C2)C(=O)CC(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)CC(=O)C)OCC2=CC=CC=C2)C(=O)CC(=O)C

InChI

InChI=1S/C22H22O5/c1-14-9-18(20(25)11-15(2)23)22(19(10-14)21(26)12-16(3)24)27-13-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3