ethyl 4-[4-[(3-chloranyl-1-adamantyl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-adamantyl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chloroadamantane-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(3-chloro-1-adamantyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloroadamantane-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-chloroadamantane-1-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C23H36ClN3O4 MolecularWeight: 454.00264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C23H36ClN3O4/c1-2-31-21(30)27-8-5-18(6-9-27)26-19(28)4-3-7-25-20(29)22-11-16-10-17(12-22)14-23(24,13-16)15-22/h16-18H,2-15H2,1H3,(H,25,29)(H,26,28)