1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]isonipecotic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H31NO5S/c1-18-9-10-24(34-18)25(28-13-11-20(12-14-28)27(29)30)21-15-22(31-2)26(23(16-21)32-3)33-17-19-7-5-4-6-8-19/h4-10,15-16,20,25H,11-14,17H2,1-3H3,(H,29,30)