1-[(5-chloranyl-2-methoxy-phenyl)-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-methyl-2-thienyl)methyl]proline Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20ClNO3S/c1-11-7-9-24-17(11)16(20-8-3-4-14(20)18(21)22)13-10-12(19)5-6-15(13)23-2/h5-7,9-10,14,16H,3-4,8H2,1-2H3,(H,21,22)