methyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-chloranyl-benzoate hydrochloride

Systemtic Name: methyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-chloranyl-benzoate hydrochloride Openeye Name: methyl 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-chloro-benzoate hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-chlorobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-chlorobenzoate hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-chloro-benzoic acid methyl ester hydrochloride Formula: C15H23Cl2NO4 MolecularWeight: 352.25342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)Cl)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)Cl)O.Cl

InChI

InChI=1S/C15H22ClNO4.ClH/c1-15(2,3)17-8-11(18)9-21-13-6-5-10(7-12(13)16)14(19)20-4;/h5-7,11,17-18H,8-9H2,1-4H3;1H