1-[(5-bromanylthiophen-2-yl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methoxyphenyl)methyl]proline Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C17H18BrNO3S/c1-22-12-5-2-4-11(10-12)16(14-7-8-15(18)23-14)19-9-3-6-13(19)17(20)21/h2,4-5,7-8,10,13,16H,3,6,9H2,1H3,(H,20,21)