1-[(4-propan-2-ylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-isopropylphenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-propan-2-ylphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-propan-2-ylphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-cumenyl(3-thienyl)methyl]isonipecotic acid Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CSC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25NO2S/c1-14(2)15-3-5-16(6-4-15)19(18-9-12-24-13-18)21-10-7-17(8-11-21)20(22)23/h3-6,9,12-14,17,19H,7-8,10-11H2,1-2H3,(H,22,23)