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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-13-9-18(26-12-13)19(21-8-4-5-14(11-21)20(22)23)16-7-6-15(24-2)10-17(16)25-3/h6-7,9-10,12,14,19H,4-5,8,11H2,1-3H3,(H,22,23)