4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoic acid; 1,2-diethoxyethane

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoic acid; 1,2-diethoxyethane Openeye Name: 1,2-diethoxyethane; 4-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)butanoic acid CAS Name: 1,2-diethoxyethane; 4-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)butanoic acid IUPAC Name: 1,2-diethoxyethane; 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)butanoic acid Traditional Name: 1,2-diethoxyethane; 4-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)butyric acid Formula: C44H50N4O10 MolecularWeight: 794.8886

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCC.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

CCOCCOCC.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O.C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/2C19H18N2O4.C6H14O2/c2*22-17(23)13-7-12-16-18(24)20(14-8-3-1-4-9-14)21(19(16)25)15-10-5-2-6-11-15;1-3-7-5-6-8-4-2/h2*1-6,8-11,16H,7,12-13H2,(H,22,23);3-6H2,1-2H3