1-[(3-methoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

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