1-[(2-methoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-(2-thienyl)methyl]nipecotic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=CS2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-22-15-8-3-2-7-14(15)17(16-9-5-11-23-16)19-10-4-6-13(12-19)18(20)21/h2-3,5,7-9,11,13,17H,4,6,10,12H2,1H3,(H,20,21)