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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-naphthalen-1-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(1-naphthyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(1-naphthalenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(1-naphthyl)methyl]proline Formula: C20H18BrNO2S MolecularWeight: 416.33142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br)C(=O)O

InChI

InChI=1S/C20H18BrNO2S/c21-18-11-10-17(25-18)19(22-12-4-9-16(22)20(23)24)15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,10-11,16,19H,4,9,12H2,(H,23,24)