1-[(5-bromanyl-2-methoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chloro-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]proline Formula: C17H17BrClNO3S MolecularWeight: 430.74378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClNO3S/c1-23-13-5-4-10(18)9-11(13)16(14-6-7-15(19)24-14)20-8-2-3-12(20)17(21)22/h4-7,9,12,16H,2-3,8H2,1H3,(H,21,22)