1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-thienyl)methyl]nipecotic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C21H27NO4S/c1-3-25-17-10-9-15(13-18(17)26-4-2)20(19-8-6-12-27-19)22-11-5-7-16(14-22)21(23)24/h6,8-10,12-13,16,20H,3-5,7,11,14H2,1-2H3,(H,23,24)