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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

InChI

InChI=1S/C25H27NO4S/c1-17-13-23(31-16-17)24(26-12-6-9-20(26)25(27)28)19-10-11-21(22(14-19)29-2)30-15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,16,20,24H,6,9,12,15H2,1-2H3,(H,27,28)