2-methyl-4-[(3-methyl-3-oxidanyl-butyl)-[(1S)-1-phenylethyl]amino]butan-2-ol; zirconium

Systemtic Name: 2-methyl-4-[(3-methyl-3-oxidanyl-butyl)-[(1S)-1-phenylethyl]amino]butan-2-ol; zirconium Openeye Name: 4-[(3-hydroxy-3-methyl-butyl)-[(1S)-1-phenylethyl]amino]-2-methyl-butan-2-ol; zirconium CAS Name: 4-[(3-hydroxy-3-methylbutyl)-[(1S)-1-phenylethyl]amino]-2-methyl-2-butanol; zirconium IUPAC Name: 4-[(3-hydroxy-3-methylbutyl)-[(1S)-1-phenylethyl]amino]-2-methylbutan-2-ol; zirconium Traditional Name: 4-[(3-hydroxy-3-methyl-butyl)-[(1S)-1-phenylethyl]amino]-2-methyl-butan-2-ol; zirconium Formula: C36H62N2O4Zr MolecularWeight: 678.11248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CCC(C)(C)O)CCC(C)(C)O.CC(C1=CC=CC=C1)N(CCC(C)(C)O)CCC(C)(C)O.[Zr]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CCC(C)(C)O)CCC(C)(C)O.C[C@@H](C1=CC=CC=C1)N(CCC(C)(C)O)CCC(C)(C)O.[Zr]

InChI

InChI=1S/2C18H31NO2.Zr/c2*1-15(16-9-7-6-8-10-16)19(13-11-17(2,3)20)14-12-18(4,5)21;/h2*6-10,15,20-21H,11-14H2,1-5H3;/t2*15-;/m00./s1