tert-butyl N-[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-5-oxidanylidene-1-phenyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-5-oxidanylidene-1-phenyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-4-oxo-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butyl]carbamate CAS Name: N-[(2S)-5-[4-(4-oxanylmethyl)-1-piperazinyl]-5-oxo-1-phenylpentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-5-oxo-1-phenylpentan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-4-keto-4-[4-(tetrahydropyran-4-ylmethyl)piperazino]butyl]carbamic acid tert-butyl ester Formula: C26H41N3O4 MolecularWeight: 459.62144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)N1CCN(CC1)CC2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(CC1)CC2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H41N3O4/c1-26(2,3)33-25(31)27-23(19-21-7-5-4-6-8-21)9-10-24(30)29-15-13-28(14-16-29)20-22-11-17-32-18-12-22/h4-8,22-23H,9-20H2,1-3H3,(H,27,31)/t23-/m0/s1