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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-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=CSC=C2)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCC(C3)C(=O)O)OCC

InChI

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