2-[[4-(hexanoyloxymethyl)-4-methyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]carbonyl-methyl-amino]benzoic acid

Systemtic Name: 2-[[4-(hexanoyloxymethyl)-4-methyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidin-1-yl]carbonyl-methyl-amino]benzoic acid Openeye Name: 2-[[4-(hexanoyloxymethyl)-4-methyl-3,5-dioxo-2-phenyl-pyrazolidine-1-carbonyl]-methyl-amino]benzoic acid CAS Name: 2-[methyl-[[4-methyl-3,5-dioxo-4-(1-oxohexoxymethyl)-2-phenyl-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(hexanoyloxymethyl)-4-methyl-3,5-dioxo-2-phenylpyrazolidine-1-carbonyl]-methylamino]benzoic acid Traditional Name: 2-[[4-(caproyloxymethyl)-3,5-diketo-4-methyl-2-phenyl-pyrazolidine-1-carbonyl]-methyl-amino]benzoic acid Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1(C(=O)N(N(C1=O)C(=O)N(C)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC(=O)OCC1(C(=O)N(N(C1=O)C(=O)N(C)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H29N3O7/c1-4-5-7-16-21(30)36-17-26(2)23(33)28(18-12-8-6-9-13-18)29(24(26)34)25(35)27(3)20-15-11-10-14-19(20)22(31)32/h6,8-15H,4-5,7,16-17H2,1-3H3,(H,31,32)