1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-methyl-2-thienyl)methyl]proline Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO4S/c1-3-30-23-16-20(12-13-22(23)31-17-19-8-5-4-6-9-19)25(24-14-11-18(2)32-24)27-15-7-10-21(27)26(28)29/h4-6,8-9,11-14,16,21,25H,3,7,10,15,17H2,1-2H3,(H,28,29)