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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=CS2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=CS2)C)N3CCC(CC3)C(=O)O

InChI

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