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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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