1-[(4-propan-2-ylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[p-cumenyl(3-thienyl)methyl]pipecolinic acid Formula: C20H25NO2S MolecularWeight: 343.483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-14(2)15-6-8-16(9-7-15)19(17-10-12-24-13-17)21-11-4-3-5-18(21)20(22)23/h6-10,12-14,18-19H,3-5,11H2,1-2H3,(H,22,23)