1-[(2,4-dimethylphenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(3-thienyl)methyl]proline Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2S/c1-12-5-6-15(13(2)10-12)17(14-7-9-22-11-14)19-8-3-4-16(19)18(20)21/h5-7,9-11,16-17H,3-4,8H2,1-2H3,(H,20,21)