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

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 4-oxidanylidene-4-(2-piperazin-1-ylethylamino)butanoate Openeye Name: (2,6-diisopropylphenyl) 4-oxo-4-(2-piperazin-1-ylethylamino)butanoate CAS Name: 4-oxo-4-[2-(1-piperazinyl)ethylamino]butanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 4-oxo-4-(2-piperazin-1-ylethylamino)butanoate Traditional Name: 4-keto-4-(2-piperazinoethylamino)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)NCCN2CCNCC2

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2CCNCC2

InChI

InChI=1S/C22H35N3O3/c1-16(2)18-6-5-7-19(17(3)4)22(18)28-21(27)9-8-20(26)24-12-15-25-13-10-23-11-14-25/h5-7,16-17,23H,8-15H2,1-4H3,(H,24,26)