(phenylmethyl) 2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O5/c1-27-18-12-19(28-2)16(11-15(18)22)23-20(25)17-9-6-10-24(17)21(26)29-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,23,25)