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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]pipecolinic acid Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC(=C(C=C2)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-13-9-11-26-19(13)18(21-10-5-4-6-15(21)20(22)23)14-7-8-16(24-2)17(12-14)25-3/h7-9,11-12,15,18H,4-6,10H2,1-3H3,(H,22,23)