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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4S/c1-3-31-24-16-22(9-10-23(24)32-17-20-7-5-4-6-8-20)26(25-15-19(2)18-33-25)28-13-11-21(12-14-28)27(29)30/h4-10,15-16,18,21,26H,3,11-14,17H2,1-2H3,(H,29,30)