[4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]-(3-methoxyphenyl)methanone Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C25H34N2O4/c1-25(2,3)22-10-5-6-11-23(22)31-18-20(28)17-26-12-14-27(15-13-26)24(29)19-8-7-9-21(16-19)30-4/h5-11,16,20,28H,12-15,17-18H2,1-4H3