[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl] 2,2-dimethylpropanoate hydrochloride

Systemtic Name: [4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl] 2,2-dimethylpropanoate hydrochloride Openeye Name: [4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl] 2,2-dimethylpropanoate hydrochloride CAS Name: 2,2-dimethylpropanoic acid [4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylphenyl] ester hydrochloride IUPAC Name: [4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylphenyl] 2,2-dimethylpropanoate hydrochloride Traditional Name: 2,2-dimethylpropionic acid [3-methyl-4-(1-pyrrolin-2-ylamino)phenyl] ester hydrochloride Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C(C)(C)C)NC2=NCCC2.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C(C)(C)C)NC2=NCCC2.Cl

InChI

InChI=1S/C16H22N2O2.ClH/c1-11-10-12(20-15(19)16(2,3)4)7-8-13(11)18-14-6-5-9-17-14;/h7-8,10H,5-6,9H2,1-4H3,(H,17,18);1H