4-[1-[4-(2,2-dimethylpropyl)phenyl]octan-2-ylcarbamoyloxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[1-[4-(2,2-dimethylpropyl)phenyl]octan-2-ylcarbamoyloxy]piperidine-1-carboxylic acid Openeye Name: 4-[1-[[4-(2,2-dimethylpropyl)phenyl]methyl]heptylcarbamoyloxy]piperidine-1-carboxylic acid CAS Name: 4-[[1-[4-(2,2-dimethylpropyl)phenyl]octan-2-ylamino]-oxomethoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[1-[4-(2,2-dimethylpropyl)phenyl]octan-2-ylcarbamoyloxy]piperidine-1-carboxylic acid Traditional Name: 4-[1-(4-neopentylbenzyl)heptylcarbamoyloxy]piperidine-1-carboxylic acid Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=C(C=C1)CC(C)(C)C)NC(=O)OC2CCN(CC2)C(=O)O

Isomeric SMILES

CCCCCCC(CC1=CC=C(C=C1)CC(C)(C)C)NC(=O)OC2CCN(CC2)C(=O)O

InChI

InChI=1S/C26H42N2O4/c1-5-6-7-8-9-22(18-20-10-12-21(13-11-20)19-26(2,3)4)27-24(29)32-23-14-16-28(17-15-23)25(30)31/h10-13,22-23H,5-9,14-19H2,1-4H3,(H,27,29)(H,30,31)