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

Systemtic Name: methyl 6-methyl-2-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]-3-propan-2-yl-benzoate Openeye Name: methyl 2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3-isopropyl-6-methyl-benzoate CAS Name: 2-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-6-methyl-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-6-methyl-3-propan-2-ylbenzoate Traditional Name: 2-[2-hydroxy-3-(4-methylpiperazino)propoxy]-3-isopropyl-6-methyl-benzoic acid methyl ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4/c1-14(2)17-7-6-15(3)18(20(24)25-5)19(17)26-13-16(23)12-22-10-8-21(4)9-11-22/h6-7,14,16,23H,8-13H2,1-5H3