1-[(5-ethylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-phenyl-methyl]nipecotic acid Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23NO2S/c1-2-16-10-11-17(23-16)18(14-7-4-3-5-8-14)20-12-6-9-15(13-20)19(21)22/h3-5,7-8,10-11,15,18H,2,6,9,12-13H2,1H3,(H,21,22)