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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,5-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,5-dimethoxyphenyl)methyl]nipecotic acid Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22ClNO4S/c1-24-13-5-6-15(25-2)14(10-13)18(16-7-8-17(20)26-16)21-9-3-4-12(11-21)19(22)23/h5-8,10,12,18H,3-4,9,11H2,1-2H3,(H,22,23)