[4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazino]-(2-furyl)methanone Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CN2CCN(CC2)C(=O)C3=CC=CO3)O)C

InChI

InChI=1S/C20H26N2O4/c1-15-10-16(2)12-18(11-15)26-14-17(23)13-21-5-7-22(8-6-21)20(24)19-4-3-9-25-19/h3-4,9-12,17,23H,5-8,13-14H2,1-2H3