2-[methyl-(phenylmethyl)amino]ethyl 4-tert-butylbenzoate hydrochloride

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 4-tert-butylbenzoate hydrochloride Openeye Name: 2-[benzyl(methyl)amino]ethyl 4-tert-butylbenzoate hydrochloride CAS Name: 4-tert-butylbenzoic acid 2-[methyl-(phenylmethyl)amino]ethyl ester hydrochloride IUPAC Name: 2-[benzyl(methyl)amino]ethyl 4-tert-butylbenzoate hydrochloride Traditional Name: 4-tert-butylbenzoic acid 2-[benzyl(methyl)amino]ethyl ester hydrochloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)CC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C21H27NO2.ClH/c1-21(2,3)19-12-10-18(11-13-19)20(23)24-15-14-22(4)16-17-8-6-5-7-9-17;/h5-13H,14-16H2,1-4H3;1H