1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methoxyphenyl)-[4-(methylthio)phenyl]methyl]nipecotic acid Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO3S/c1-25-18-9-5-15(6-10-18)20(16-7-11-19(26-2)12-8-16)22-13-3-4-17(14-22)21(23)24/h5-12,17,20H,3-4,13-14H2,1-2H3,(H,23,24)