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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(2,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[asaryl-(5-chloro-2-thienyl)methyl]pipecolinic acid Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(S2)Cl)N3CCCCC3C(=O)O)OC)OC

InChI

InChI=1S/C20H24ClNO5S/c1-25-14-11-16(27-3)15(26-2)10-12(14)19(17-7-8-18(21)28-17)22-9-5-4-6-13(22)20(23)24/h7-8,10-11,13,19H,4-6,9H2,1-3H3,(H,23,24)