1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C20H25NO4S/c1-4-25-16-8-7-14(11-17(16)24-3)19(18-10-13(2)12-26-18)21-9-5-6-15(21)20(22)23/h7-8,10-12,15,19H,4-6,9H2,1-3H3,(H,22,23)