[2-(pyrrolidin-1-ylmethyl)phenyl]methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-(1-pyrrolidinylmethyl)phenyl]methyl ester IUPAC Name: [2-(pyrrolidin-1-ylmethyl)phenyl]methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(pyrrolidinomethyl)benzyl] ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2CN3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2CN3CCCC3)Br

InChI

InChI=1S/C20H22BrNO3/c1-24-19-9-8-15(12-18(19)21)20(23)25-14-17-7-3-2-6-16(17)13-22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3