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

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 4-oxidanylidene-4-(2-pyrrolidin-1-ylethylamino)butanoate hydrochloride Openeye Name: (2,6-diisopropylphenyl) 4-oxo-4-(2-pyrrolidin-1-ylethylamino)butanoate hydrochloride CAS Name: 4-oxo-4-[2-(1-pyrrolidinyl)ethylamino]butanoic acid [2,6-di(propan-2-yl)phenyl] ester hydrochloride IUPAC Name: [2,6-di(propan-2-yl)phenyl] 4-oxo-4-(2-pyrrolidin-1-ylethylamino)butanoate hydrochloride Traditional Name: 4-keto-4-(2-pyrrolidinoethylamino)butyric acid (2,6-diisopropylphenyl) ester hydrochloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2CCCC2.Cl

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2CCCC2.Cl

InChI

InChI=1S/C22H34N2O3.ClH/c1-16(2)18-8-7-9-19(17(3)4)22(18)27-21(26)11-10-20(25)23-12-15-24-13-5-6-14-24;/h7-9,16-17H,5-6,10-15H2,1-4H3,(H,23,25);1H