1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-dimethylaminophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]proline Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H21BrN2O2S/c1-20(2)13-7-5-12(6-8-13)17(15-9-10-16(19)24-15)21-11-3-4-14(21)18(22)23/h5-10,14,17H,3-4,11H2,1-2H3,(H,22,23)