tert-butyl N-[2-oxidanyl-3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[2-oxidanyl-3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[2-hydroxy-3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]carbamate CAS Name: N-[2-hydroxy-3-[4-(2-phenoxyphenyl)-1-piperazinyl]propyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[2-hydroxy-3-[4-(2-phenoxyphenyl)piperazin-1-yl]propyl]carbamate Traditional Name: N-benzyl-N-[2-hydroxy-3-[4-(2-phenoxyphenyl)piperazino]propyl]carbamic acid tert-butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)CC(CN2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4)O

InChI

InChI=1S/C31H39N3O4/c1-31(2,3)38-30(36)34(22-25-12-6-4-7-13-25)24-26(35)23-32-18-20-33(21-19-32)28-16-10-11-17-29(28)37-27-14-8-5-9-15-27/h4-17,26,35H,18-24H2,1-3H3