tert-butyl N-[(E,2R)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenyl-pent-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2R)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenyl-pent-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1R)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]but-2-enyl]carbamate CAS Name: N-[(E,2R)-5-[4-(4-oxanylmethyl)-1-piperazinyl]-1-phenylpent-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2R)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpent-3-en-2-yl]carbamate Traditional Name: N-[(E,1R)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazino]but-2-enyl]carbamic acid tert-butyl ester Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C=CCN2CCN(CC2)CC3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)/C=C/CN2CCN(CC2)CC3CCOCC3

InChI

InChI=1S/C26H41N3O3/c1-26(2,3)32-25(30)27-24(20-22-8-5-4-6-9-22)10-7-13-28-14-16-29(17-15-28)21-23-11-18-31-19-12-23/h4-10,23-24H,11-21H2,1-3H3,(H,27,30)/b10-7+/t24-/m0/s1