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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H25NO3S/c1-3-16-10-11-18(25-16)19(14-7-6-8-15(13-14)24-2)21-12-5-4-9-17(21)20(22)23/h6-8,10-11,13,17,19H,3-5,9,12H2,1-2H3,(H,22,23)