1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]proline Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C19H22BrNO4S/c1-11-6-7-17(26-11)18(21-8-4-5-14(21)19(22)23)12-9-15(24-2)16(25-3)10-13(12)20/h6-7,9-10,14,18H,4-5,8H2,1-3H3,(H,22,23)