1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-thienyl)methyl]proline Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C25H27NO5S/c1-29-21-13-19(14-22(30-2)24(21)31-15-17-7-4-3-5-8-17)23(18-10-12-32-16-18)26-11-6-9-20(26)25(27)28/h3-5,7-8,10,12-14,16,20,23H,6,9,11,15H2,1-2H3,(H,27,28)