[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-bromanylbenzoate hydrochloride

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-bromanylbenzoate hydrochloride Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 2-bromobenzoate hydrochloride CAS Name: 2-bromobenzoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester hydrochloride IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-bromobenzoate hydrochloride Traditional Name: 2-bromobenzoic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester hydrochloride Formula: C21H27BrClNO3 MolecularWeight: 456.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2Br)C(C)C)OCCN(C)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2Br)C(C)C)OCCN(C)C.Cl

InChI

InChI=1S/C21H26BrNO3.ClH/c1-14(2)17-13-19(15(3)12-20(17)25-11-10-23(4)5)26-21(24)16-8-6-7-9-18(16)22;/h6-9,12-14H,10-11H2,1-5H3;1H