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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,4-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(2,4-dimethoxyphenyl)methyl]pipecolinic acid Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C19H22ClNO4S/c1-24-12-6-7-13(15(11-12)25-2)18(16-8-9-17(20)26-16)21-10-4-3-5-14(21)19(22)23/h6-9,11,14,18H,3-5,10H2,1-2H3,(H,22,23)