(4-acetamidophenyl) 4-(dimethylamino)-2-[(2-hydroxyphenyl)methyl]butanoate hydrochloride

Systemtic Name: (4-acetamidophenyl) 4-(dimethylamino)-2-[(2-hydroxyphenyl)methyl]butanoate hydrochloride Openeye Name: (4-acetamidophenyl) 4-(dimethylamino)-2-[(2-hydroxyphenyl)methyl]butanoate hydrochloride CAS Name: 4-(dimethylamino)-2-[(2-hydroxyphenyl)methyl]butanoic acid (4-acetamidophenyl) ester hydrochloride IUPAC Name: (4-acetamidophenyl) 4-(dimethylamino)-2-[(2-hydroxyphenyl)methyl]butanoate hydrochloride Traditional Name: 4-(dimethylamino)-2-salicyl-butyric acid (4-acetamidophenyl) ester hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CCN(C)C)CC2=CC=CC=C2O.Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CCN(C)C)CC2=CC=CC=C2O.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-15(24)22-18-8-10-19(11-9-18)27-21(26)17(12-13-23(2)3)14-16-6-4-5-7-20(16)25;/h4-11,17,25H,12-14H2,1-3H3,(H,22,24);1H