[4-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]piperazino]-(3-methoxyphenyl)methanone Formula: C23H30N2O4 MolecularWeight: 398.4953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC)O

InChI

InChI=1S/C23H30N2O4/c1-17-6-4-7-18(2)22(17)29-16-20(26)15-24-10-12-25(13-11-24)23(27)19-8-5-9-21(14-19)28-3/h4-9,14,20,26H,10-13,15-16H2,1-3H3