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

Systemtic Name: 1-[(3-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-m-phenetyl-methyl]nipecotic acid Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO3S/c1-3-24-17-8-4-6-15(11-17)19(18-10-14(2)13-25-18)21-9-5-7-16(12-21)20(22)23/h4,6,8,10-11,13,16,19H,3,5,7,9,12H2,1-2H3,(H,22,23)