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

Systemtic Name: [5-(2-azanyl-1-chloranyl-ethyl)-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate hydrochloride Openeye Name: [5-(2-amino-1-chloro-ethyl)-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [5-(2-amino-1-chloroethyl)-2-(2-methyl-1-oxopropoxy)phenyl] ester hydrochloride IUPAC Name: [5-(2-amino-1-chloroethyl)-2-(2-methylpropanoyloxy)phenyl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [5-(2-amino-1-chloro-ethyl)-2-isobutyryloxy-phenyl] ester hydrochloride Formula: C20H23Cl2NO4 MolecularWeight: 412.30692

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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)C(C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4.ClH/c1-12(2)19(23)25-17-9-8-15(16(21)11-22)10-18(17)26-20(24)14-6-4-13(3)5-7-14;/h4-10,12,16H,11,22H2,1-3H3;1H