1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C23H22ClNO3S MolecularWeight: 427.94368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H22ClNO3S/c24-21-13-12-20(29-21)22(25-14-5-4-11-19(25)23(26)27)16-7-6-10-18(15-16)28-17-8-2-1-3-9-17/h1-3,6-10,12-13,15,19,22H,4-5,11,14H2,(H,26,27)