1-[(5-chloranylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3,4-diethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3,4-diethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(3,4-diethoxyphenyl)methyl]pipecolinic acid Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OCC

InChI

InChI=1S/C21H26ClNO4S/c1-3-26-16-9-8-14(13-17(16)27-4-2)20(18-10-11-19(22)28-18)23-12-6-5-7-15(23)21(24)25/h8-11,13,15,20H,3-7,12H2,1-2H3,(H,24,25)