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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22ClNO4S/c1-24-14-7-3-6-13(18(14)25-2)17(15-8-9-16(20)26-15)21-10-4-5-12(11-21)19(22)23/h3,6-9,12,17H,4-5,10-11H2,1-2H3,(H,22,23)