1-[(4-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-p-phenetyl-methyl]pipecolinic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC(=CS2)C)N3CCCCC3C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC(=CS2)C)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H25NO3S/c1-3-24-16-9-7-15(8-10-16)19(18-12-14(2)13-25-18)21-11-5-4-6-17(21)20(22)23/h7-10,12-13,17,19H,3-6,11H2,1-2H3,(H,22,23)