1-[(4-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(2,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[asaryl-(4-methyl-2-thienyl)methyl]pipecolinic acid Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-13-9-19(28-12-13)20(22-8-6-5-7-15(22)21(23)24)14-10-17(26-3)18(27-4)11-16(14)25-2/h9-12,15,20H,5-8H2,1-4H3,(H,23,24)