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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-m-phenetyl-methyl]nipecotic acid Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(S2)Cl)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22ClNO3S/c1-2-24-15-7-3-5-13(11-15)18(16-8-9-17(20)25-16)21-10-4-6-14(12-21)19(22)23/h3,5,7-9,11,14,18H,2,4,6,10,12H2,1H3,(H,22,23)