1-[(5-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(5-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(4-propan-2-ylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-p-cumenyl-methyl]isonipecotic acid Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)C(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)C(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27NO2S/c1-14(2)16-5-7-17(8-6-16)20(19-9-4-15(3)25-19)22-12-10-18(11-13-22)21(23)24/h4-9,14,18,20H,10-13H2,1-3H3,(H,23,24)