[5-(2-azanyl-1-chloranyl-ethyl)-2-(dimethylcarbamoyloxy)phenyl] 4-methylbenzoate hydrochloride

Systemtic Name: [5-(2-azanyl-1-chloranyl-ethyl)-2-(dimethylcarbamoyloxy)phenyl] 4-methylbenzoate hydrochloride Openeye Name: [5-(2-amino-1-chloro-ethyl)-2-(dimethylcarbamoyloxy)phenyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [5-(2-amino-1-chloroethyl)-2-[dimethylamino(oxo)methoxy]phenyl] ester hydrochloride IUPAC Name: [5-(2-amino-1-chloroethyl)-2-(dimethylcarbamoyloxy)phenyl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [5-(2-amino-1-chloro-ethyl)-2-(dimethylcarbamoyloxy)phenyl] ester hydrochloride Formula: C19H22Cl2N2O4 MolecularWeight: 413.29498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(CN)Cl)OC(=O)N(C)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(CN)Cl)OC(=O)N(C)C.Cl

InChI

InChI=1S/C19H21ClN2O4.ClH/c1-12-4-6-13(7-5-12)18(23)25-17-10-14(15(20)11-21)8-9-16(17)26-19(24)22(2)3;/h4-10,15H,11,21H2,1-3H3;1H