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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

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