(4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumaran-2-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClNO4/c22-17-7-8-18-16(11-17)12-19(27-18)21(25)26-13-14-3-5-15(6-4-14)20(24)23-9-1-2-10-23/h3-8,11,19H,1-2,9-10,12-13H2