2-dimethylaminoethyl (2S,4S)-6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride

Systemtic Name: 2-dimethylaminoethyl (2S,4S)-6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride Openeye Name: 2-dimethylaminoethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride CAS Name: (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride Traditional Name: (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid 2-dimethylaminoethyl ester hydrochloride Formula: C20H23Cl2NO4 MolecularWeight: 412.30692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)OCCN(C)C)C3=CC=CC=C3.Cl

Isomeric SMILES

C[C@@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)OCCN(C)C)C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H22ClNO4.ClH/c1-20(14-7-5-4-6-8-14)16-13-15(21)9-10-17(16)25-19(26-20)18(23)24-12-11-22(2)3;/h4-10,13,19H,11-12H2,1-3H3;1H/t19-,20-;/m0./s1