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

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H22BrNO5/c1-26-17-11-16(12-18(27-2)19(17)22)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