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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,3-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=C2)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

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