1-[(5-bromanylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,4-diethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3,4-diethoxyphenyl)methyl]proline Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4S/c1-3-25-15-8-7-13(12-16(15)26-4-2)19(17-9-10-18(21)27-17)22-11-5-6-14(22)20(23)24/h7-10,12,14,19H,3-6,11H2,1-2H3,(H,23,24)