1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-ethoxy-4-methoxy-phenyl)methyl]proline Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC

InChI

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