1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]proline Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O

InChI

InChI=1S/C20H26N2O2S/c1-4-16-11-12-18(25-16)19(22-13-5-6-17(22)20(23)24)14-7-9-15(10-8-14)21(2)3/h7-12,17,19H,4-6,13H2,1-3H3,(H,23,24)