(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C21H22ClNO5/c1-26-18-12-16(11-17(22)19(18)27-2)21(25)28-13-14-5-7-15(8-6-14)20(24)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3