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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(2-furyl)methyl]nipecotic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H21NO3S/c1-2-13-7-8-15(22-13)16(14-6-4-10-21-14)18-9-3-5-12(11-18)17(19)20/h4,6-8,10,12,16H,2-3,5,9,11H2,1H3,(H,19,20)