(4-pyrrolidin-1-ylcarbonylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H18ClNO5/c21-16-9-15(10-17-18(16)27-12-26-17)20(24)25-11-13-3-5-14(6-4-13)19(23)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11-12H2