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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-methyl-2-thienyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

InChI

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