1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]pipecolinic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OCC

InChI

InChI=1S/C21H27NO4S/c1-3-25-17-11-10-15(14-18(17)26-4-2)20(19-9-7-13-27-19)22-12-6-5-8-16(22)21(23)24/h7,9-11,13-14,16,20H,3-6,8,12H2,1-2H3,(H,23,24)