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

Systemtic Name: 1-[(3-methoxyphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(3-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=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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