[3,5-bis(oxidanylidene)-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-phenylethanoate

Systemtic Name: [3,5-bis(oxidanylidene)-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-phenylethanoate Openeye Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-phenylacetate CAS Name: 2-phenylacetic acid [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [3,5-dioxo-4-(3-oxobutyl)-1,2-diphenylpyrazolidin-4-yl]methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid [3,5-diketo-4-(3-ketobutyl)-1,2-diphenyl-pyrazolidin-4-yl]methyl ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5/c1-21(31)17-18-28(20-35-25(32)19-22-11-5-2-6-12-22)26(33)29(23-13-7-3-8-14-23)30(27(28)34)24-15-9-4-10-16-24/h2-16H,17-20H2,1H3