4-[6-[[4-(2,2-dimethylpropyl)phenyl]methyl-heptyl-carbamoyl]oxyhexylcarbamoyloxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[6-[[4-(2,2-dimethylpropyl)phenyl]methyl-heptyl-carbamoyl]oxyhexylcarbamoyloxy]piperidine-1-carboxylic acid Openeye Name: 4-[6-[[4-(2,2-dimethylpropyl)phenyl]methyl-heptyl-carbamoyl]oxyhexylcarbamoyloxy]piperidine-1-carboxylic acid CAS Name: 4-[[6-[[[4-(2,2-dimethylpropyl)phenyl]methyl-heptylamino]-oxomethoxy]hexylamino]-oxomethoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[6-[[4-(2,2-dimethylpropyl)phenyl]methyl-heptylcarbamoyl]oxyhexylcarbamoyloxy]piperidine-1-carboxylic acid Traditional Name: 4-[6-[heptyl-(4-neopentylbenzyl)carbamoyl]oxyhexylcarbamoyloxy]piperidine-1-carboxylic acid Formula: C33H55N3O6 MolecularWeight: 589.8063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CC(C)(C)C)C(=O)OCCCCCCNC(=O)OC2CCN(CC2)C(=O)O

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CC(C)(C)C)C(=O)OCCCCCCNC(=O)OC2CCN(CC2)C(=O)O

InChI

InChI=1S/C33H55N3O6/c1-5-6-7-9-12-21-36(26-28-16-14-27(15-17-28)25-33(2,3)4)32(40)41-24-13-10-8-11-20-34-30(37)42-29-18-22-35(23-19-29)31(38)39/h14-17,29H,5-13,18-26H2,1-4H3,(H,34,37)(H,38,39)