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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O

InChI

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