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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H25NO3S/c1-17-14-22(29-16-17)23(25-12-10-18(11-13-25)24(26)27)19-6-5-9-21(15-19)28-20-7-3-2-4-8-20/h2-9,14-16,18,23H,10-13H2,1H3,(H,26,27)