1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C21H27NO4S MolecularWeight: 389.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-4-16-6-8-19(27-16)20(22-11-9-14(10-12-22)21(23)24)15-5-7-17(25-2)18(13-15)26-3/h5-8,13-14,20H,4,9-12H2,1-3H3,(H,23,24)