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

Systemtic Name: 1-[(2-methylphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-(o-tolyl)methyl]isonipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC=CC=C2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-13-5-3-4-6-16(13)17(18-14(2)9-12-23-18)20-10-7-15(8-11-20)19(21)22/h3-6,9,12,15,17H,7-8,10-11H2,1-2H3,(H,21,22)