methyl 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-6-methyl-3-propan-2-yl-benzoate

Systemtic Name: methyl 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propoxy]-6-methyl-3-propan-2-yl-benzoate Openeye Name: methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-isopropyl-6-methyl-benzoate CAS Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy]-6-methyl-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate Traditional Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propoxy]-3-isopropyl-6-methyl-benzoic acid methyl ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC

InChI

InChI=1S/C21H34N2O5/c1-15(2)18-6-5-16(3)19(21(26)27-4)20(18)28-14-17(25)13-23-9-7-22(8-10-23)11-12-24/h5-6,15,17,24-25H,7-14H2,1-4H3