methyl 3-(2-chloranyl-5-methyl-phenyl)-5-(2-dimethylaminoethylcarbamoyl)benzoate hydrochloride

Systemtic Name: methyl 3-(2-chloranyl-5-methyl-phenyl)-5-(2-dimethylaminoethylcarbamoyl)benzoate hydrochloride Openeye Name: methyl 3-(2-chloro-5-methyl-phenyl)-5-(2-dimethylaminoethylcarbamoyl)benzoate hydrochloride CAS Name: 3-(2-chloro-5-methylphenyl)-5-[(2-dimethylaminoethylamino)-oxomethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-(2-chloro-5-methylphenyl)-5-(2-dimethylaminoethylcarbamoyl)benzoate hydrochloride Traditional Name: 3-(2-chloro-5-methyl-phenyl)-5-(2-dimethylaminoethylcarbamoyl)benzoic acid methyl ester hydrochloride Formula: C20H24Cl2N2O3 MolecularWeight: 411.32216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3.ClH/c1-13-5-6-18(21)17(9-13)14-10-15(12-16(11-14)20(25)26-4)19(24)22-7-8-23(2)3;/h5-6,9-12H,7-8H2,1-4H3,(H,22,24);1H