1-[(4-ethylphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(3-thienyl)methyl]nipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-2-14-5-7-15(8-6-14)18(17-9-11-23-13-17)20-10-3-4-16(12-20)19(21)22/h5-9,11,13,16,18H,2-4,10,12H2,1H3,(H,21,22)