1-[(5-methylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(2-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H27NO3S/c1-18-11-12-23(30-18)24(26-15-13-20(14-16-26)25(27)28)21-9-5-6-10-22(21)29-17-19-7-3-2-4-8-19/h2-12,20,24H,13-17H2,1H3,(H,27,28)