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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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