1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-4-15-8-9-18(27-15)20(22-12-10-14(11-13-22)21(23)24)19-16(25-2)6-5-7-17(19)26-3/h5-9,14,20H,4,10-13H2,1-3H3,(H,23,24)