1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25NO3S/c1-3-15-10-11-18(25-15)19(16-8-4-5-9-17(16)24-2)21-12-6-7-14(13-21)20(22)23/h4-5,8-11,14,19H,3,6-7,12-13H2,1-2H3,(H,22,23)