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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(S2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H24ClNO5S/c1-25-14-10-13(11-15(26-2)19(14)27-3)18(16-4-5-17(21)28-16)22-8-6-12(7-9-22)20(23)24/h4-5,10-12,18H,6-9H2,1-3H3,(H,23,24)