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

Systemtic Name: 1-[(3-ethoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl(2-thienyl)methyl]isonipecotic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H23NO3S/c1-2-23-16-6-3-5-15(13-16)18(17-7-4-12-24-17)20-10-8-14(9-11-20)19(21)22/h3-7,12-14,18H,2,8-11H2,1H3,(H,21,22)