1-[(3-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C24H25NO2S MolecularWeight: 391.5258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H25NO2S/c1-17-13-15-28-23(17)22(25-14-5-8-21(16-25)24(26)27)20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-4,6-7,9-13,15,21-22H,5,8,14,16H2,1H3,(H,26,27)