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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylthiophen-2-yl)-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-methyl-2-thienyl)-(3-phenoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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