[5-[(2-methylpiperazin-1-yl)methyl]furan-2-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [5-[(2-methylpiperazin-1-yl)methyl]furan-2-yl]methyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [5-[(2-methylpiperazin-1-yl)methyl]-2-furyl]methyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [5-[(2-methyl-1-piperazinyl)methyl]-2-furanyl]methyl ester IUPAC Name: [5-[(2-methylpiperazin-1-yl)methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [5-[(2-methylpiperazino)methyl]-2-furyl]methyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1CC2=CC=C(O2)COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1CNCCN1CC2=CC=C(O2)COC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C25H34N2O4/c1-19-16-26-14-15-27(19)17-22-12-13-23(31-22)18-30-24(28)25(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,19,21,26,29H,3,6-7,10-11,14-18H2,1H3