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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O)OCC

InChI

InChI=1S/C21H27NO4S/c1-3-25-18-9-8-15(13-19(18)26-4-2)20(16-10-12-27-14-16)22-11-6-5-7-17(22)21(23)24/h8-10,12-14,17,20H,3-7,11H2,1-2H3,(H,23,24)