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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC3C(=O)O

InChI

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