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

Systemtic Name: methyl 4-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propoxy]benzoic acid methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C23H32N4O4/c1-16(2)22-24-17(3)13-21(25-22)27-11-9-26(10-12-27)14-19(28)15-31-20-7-5-18(6-8-20)23(29)30-4/h5-8,13,16,19,28H,9-12,14-15H2,1-4H3