1-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]pipecolinic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C23H33NO4/c1-22(2,3)16-13-15(14-17(20(16)26)23(4,5)6)10-11-19(25)24-12-8-7-9-18(24)21(27)28/h10-11,13-14,18,26H,7-9,12H2,1-6H3,(H,27,28)/b11-10+