[2,6-di(propan-2-yl)phenyl] 4-[2-(2-methylpyrazolidin-1-yl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 4-[2-(2-methylpyrazolidin-1-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: (2,6-diisopropylphenyl) 4-[2-(2-methylpyrazolidin-1-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(2-methyl-1-pyrazolidinyl)ethylamino]-4-oxobutanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 4-[2-(2-methylpyrazolidin-1-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[2-(2-methylpyrazolidin-1-yl)ethylamino]butyric acid (2,6-diisopropylphenyl) ester Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2CCCN2C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2CCCN2C

InChI

InChI=1S/C22H35N3O3/c1-16(2)18-8-6-9-19(17(3)4)22(18)28-21(27)11-10-20(26)23-12-15-25-14-7-13-24(25)5/h6,8-9,16-17H,7,10-15H2,1-5H3,(H,23,26)