[4-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(2,4-ditert-amylphenoxy)-2-hydroxy-propyl]piperazino]-phenyl-methanone Formula: C30H44N2O3 MolecularWeight: 480.68196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O)C(C)(C)CC

InChI

InChI=1S/C30H44N2O3/c1-7-29(3,4)24-14-15-27(26(20-24)30(5,6)8-2)35-22-25(33)21-31-16-18-32(19-17-31)28(34)23-12-10-9-11-13-23/h9-15,20,25,33H,7-8,16-19,21-22H2,1-6H3