1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]pipecolinic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C=CC=C2OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=CC=C2OC)OC)N3CCCCC3C(=O)O

InChI

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