(phenylmethyl) 2-[7-(2-methylbutan-2-ylamino)-7-oxidanylidene-heptyl]-3-oxidanylidene-pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[7-(2-methylbutan-2-ylamino)-7-oxidanylidene-heptyl]-3-oxidanylidene-pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[7-(1,1-dimethylpropylamino)-7-oxo-heptyl]-3-oxo-pyrazolidine-1-carboxylate CAS Name: 2-[7-(2-methylbutan-2-ylamino)-7-oxoheptyl]-3-oxo-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(2-methylbutan-2-ylamino)-7-oxoheptyl]-3-oxopyrazolidine-1-carboxylate Traditional Name: 2-[7-(tert-amylamino)-7-keto-heptyl]-3-keto-pyrazolidine-1-carboxylic acid benzyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CCCCCCN1C(=O)CCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)NC(=O)CCCCCCN1C(=O)CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4/c1-4-23(2,3)24-20(27)14-10-5-6-11-16-25-21(28)15-17-26(25)22(29)30-18-19-12-8-7-9-13-19/h7-9,12-13H,4-6,10-11,14-18H2,1-3H3,(H,24,27)