2-diethylaminoethyl 6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride

Systemtic Name: 2-diethylaminoethyl 6-chloranyl-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride Openeye Name: 2-diethylaminoethyl 6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride CAS Name: 6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate hydrochloride Traditional Name: 6-chloro-4-methyl-4-phenyl-1,3-benzodioxin-2-carboxylic acid 2-diethylaminoethyl ester hydrochloride Formula: C22H27Cl2NO4 MolecularWeight: 440.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1OC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1OC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26ClNO4.ClH/c1-4-24(5-2)13-14-26-20(25)21-27-19-12-11-17(23)15-18(19)22(3,28-21)16-9-7-6-8-10-16;/h6-12,15,21H,4-5,13-14H2,1-3H3;1H