4-[4-(3-methylbutanoyl)phenoxy]-1,2-bis(phenylmethyl)pyrazolidine-3,5-dione

Systemtic Name: 4-[4-(3-methylbutanoyl)phenoxy]-1,2-bis(phenylmethyl)pyrazolidine-3,5-dione Openeye Name: 1,2-dibenzyl-4-[4-(3-methylbutanoyl)phenoxy]pyrazolidine-3,5-dione CAS Name: 4-[4-(3-methyl-1-oxobutyl)phenoxy]-1,2-bis(phenylmethyl)pyrazolidine-3,5-dione IUPAC Name: 1,2-dibenzyl-4-[4-(3-methylbutanoyl)phenoxy]pyrazolidine-3,5-dione Traditional Name: 1,2-dibenzyl-4-(4-isovalerylphenoxy)pyrazolidine-3,5-quinone Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC=C(C=C1)OC2C(=O)N(N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)C1=CC=C(C=C1)OC2C(=O)N(N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-20(2)17-25(31)23-13-15-24(16-14-23)34-26-27(32)29(18-21-9-5-3-6-10-21)30(28(26)33)19-22-11-7-4-8-12-22/h3-16,20,26H,17-19H2,1-2H3