1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]nipecotic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-4-16-8-10-19(27-16)20(22-11-5-6-15(13-22)21(23)24)14-7-9-17(25-2)18(12-14)26-3/h7-10,12,15,20H,4-6,11,13H2,1-3H3,(H,23,24)