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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-chloro-2-thienyl)methyl]proline Formula: C24H24ClNO4S MolecularWeight: 457.96966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24ClNO4S/c1-29-20-14-17(9-10-19(20)30-15-16-6-3-2-4-7-16)23(21-11-12-22(25)31-21)26-13-5-8-18(26)24(27)28/h2-4,6-7,9-12,14,18,23H,5,8,13,15H2,1H3,(H,27,28)