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

Systemtic Name: tert-butyl 4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(phenylmethyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(benzylcarbamoyl)-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[(phenylmethyl)amino]methyl]-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzylcarbamoyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-(benzylcarbamoyl)-4-[(3-phenyl-2-isoxazolin-5-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC(=NO2)C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O4/c1-27(2,3)34-26(33)31-16-14-28(15-17-31,25(32)29-20-21-10-6-4-7-11-21)19-23-18-24(30-35-23)22-12-8-5-9-13-22/h4-13,23H,14-20H2,1-3H3,(H,29,32)