1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(5-ethyl-2-thienyl)methyl]isonipecotic acid Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H24ClNO3S/c1-3-15-5-7-18(26-15)19(16-12-14(21)4-6-17(16)25-2)22-10-8-13(9-11-22)20(23)24/h4-7,12-13,19H,3,8-11H2,1-2H3,(H,23,24)