1-ethyl-2-[4-(thiophen-3-ylmethyl)phenoxy]piperidine-4-carboxylic acid

Systemtic Name: 1-ethyl-2-[4-(thiophen-3-ylmethyl)phenoxy]piperidine-4-carboxylic acid Openeye Name: 1-ethyl-2-[4-(3-thienylmethyl)phenoxy]piperidine-4-carboxylic acid CAS Name: 1-ethyl-2-[4-(3-thiophenylmethyl)phenoxy]-4-piperidinecarboxylic acid IUPAC Name: 1-ethyl-2-[4-(thiophen-3-ylmethyl)phenoxy]piperidine-4-carboxylic acid Traditional Name: 1-ethyl-2-[4-(3-thenyl)phenoxy]isonipecotic acid Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1OC2=CC=C(C=C2)CC3=CSC=C3)C(=O)O

Isomeric SMILES

CCN1CCC(CC1OC2=CC=C(C=C2)CC3=CSC=C3)C(=O)O

InChI

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