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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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=CSC=C2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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