2-[2,2-bis(2-ethylphenyl)ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-[2,2-bis(2-ethylphenyl)ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid Openeye Name: 2-[2,2-bis(2-ethylphenyl)vinyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid CAS Name: 2-[2,2-bis(2-ethylphenyl)ethenyl]-1-(2-oxoethyl)-3-piperidinecarboxylic acid IUPAC Name: 2-[2,2-bis(2-ethylphenyl)ethenyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid Traditional Name: 2-[2,2-bis(2-ethylphenyl)vinyl]-1-(2-ketoethyl)nipecotic acid Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CC2C(CCCN2CC=O)C(=O)O)C3=CC=CC=C3CC

Isomeric SMILES

CCC1=CC=CC=C1C(=CC2C(CCCN2CC=O)C(=O)O)C3=CC=CC=C3CC

InChI

InChI=1S/C26H31NO3/c1-3-19-10-5-7-12-21(19)24(22-13-8-6-11-20(22)4-2)18-25-23(26(29)30)14-9-15-27(25)16-17-28/h5-8,10-13,17-18,23,25H,3-4,9,14-16H2,1-2H3,(H,29,30)