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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2-thienyl)methyl]pipecolinic acid Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO4S/c1-29-22-16-19(12-13-21(22)30-17-18-8-3-2-4-9-18)24(23-11-7-15-31-23)26-14-6-5-10-20(26)25(27)28/h2-4,7-9,11-13,15-16,20,24H,5-6,10,14,17H2,1H3,(H,27,28)