1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO4S/c1-2-30-23-17-21(10-11-22(23)31-18-19-7-4-3-5-8-19)25(24-9-6-16-32-24)27-14-12-20(13-15-27)26(28)29/h3-11,16-17,20,25H,2,12-15,18H2,1H3,(H,28,29)