1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-methyl-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-methyl-2-thienyl)methyl]proline Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3S/c1-17-13-22(29-16-17)23(25-12-6-11-21(25)24(26)27)19-9-5-10-20(14-19)28-15-18-7-3-2-4-8-18/h2-5,7-10,13-14,16,21,23H,6,11-12,15H2,1H3,(H,26,27)