tert-butyl 4-(heptylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(heptylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(heptylcarbamoyl)-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(heptylamino)-oxomethyl]-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(heptylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-(heptylcarbamoyl)-4-[(3-phenyl-2-isoxazolin-5-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O4 MolecularWeight: 485.65872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC2CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C28H43N3O4/c1-5-6-7-8-12-17-29-25(32)28(15-18-31(19-16-28)26(33)34-27(2,3)4)21-23-20-24(30-35-23)22-13-10-9-11-14-22/h9-11,13-14,23H,5-8,12,15-21H2,1-4H3,(H,29,32)