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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

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