1-[(5-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]proline Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C23H23NO3S/c1-16-12-13-21(28-16)22(24-14-6-11-20(24)23(25)26)17-7-5-10-19(15-17)27-18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20,22H,6,11,14H2,1H3,(H,25,26)