methyl 3-(2-chloranyl-1-benzofuran-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoate

Systemtic Name: methyl 3-(2-chloranyl-1-benzofuran-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoate Openeye Name: methyl 3-(2-chlorobenzofuran-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoate CAS Name: 3-(2-chloro-3-benzofuranyl)-5-[(2-dimethylaminoethylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-chloro-1-benzofuran-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoate Traditional Name: 3-(2-chlorobenzofuran-3-yl)-5-(2-dimethylaminoethylcarbamoyl)benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(OC3=CC=CC=C32)Cl)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(OC3=CC=CC=C32)Cl)C(=O)OC

InChI

InChI=1S/C21H21ClN2O4/c1-24(2)9-8-23-20(25)14-10-13(11-15(12-14)21(26)27-3)18-16-6-4-5-7-17(16)28-19(18)22/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)