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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]proline Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO3S/c1-11-5-8-16(24-11)17(20-9-3-4-14(20)18(21)22)13-10-12(19)6-7-15(13)23-2/h5-8,10,14,17H,3-4,9H2,1-2H3,(H,21,22)