1-[(5-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C24H25NO2S/c1-17-9-14-22(28-17)23(25-15-5-8-21(16-25)24(26)27)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-4,6-7,9-14,21,23H,5,8,15-16H2,1H3,(H,26,27)