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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C22H29NO4S/c1-4-26-18-7-6-17(13-19(18)27-5-2)21(20-12-15(3)14-28-20)23-10-8-16(9-11-23)22(24)25/h6-7,12-14,16,21H,4-5,8-11H2,1-3H3,(H,24,25)