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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-thienyl)methyl]proline Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO4S/c1-28-22-14-18(9-10-21(22)29-15-17-6-3-2-4-7-17)23(19-11-13-30-16-19)25-12-5-8-20(25)24(26)27/h2-4,6-7,9-11,13-14,16,20,23H,5,8,12,15H2,1H3,(H,26,27)