1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-methyl-2-thienyl)methyl]pipecolinic acid Formula: C25H27NO3S MolecularWeight: 421.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C25H27NO3S/c1-18-14-23(30-17-18)24(26-13-6-5-12-22(26)25(27)28)20-10-7-11-21(15-20)29-16-19-8-3-2-4-9-19/h2-4,7-11,14-15,17,22,24H,5-6,12-13,16H2,1H3,(H,27,28)