2-diethylaminoethyl 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 3,5-ditert-butylbenzoate hydrochloride Openeye Name: 2-diethylaminoethyl 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C21H36ClNO2 MolecularWeight: 369.96904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.Cl

InChI

InChI=1S/C21H35NO2.ClH/c1-9-22(10-2)11-12-24-19(23)16-13-17(20(3,4)5)15-18(14-16)21(6,7)8;/h13-15H,9-12H2,1-8H3;1H