methyl 2-[3-[4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[3-[4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxylate Openeye Name: methyl 2-[3-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]-1-piperidyl]propylamino]pyrimidine-4-carboxylate CAS Name: 2-[3-[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-piperidinyl]propylamino]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxylate Traditional Name: 2-[3-[4-[(2-isopropyl-5-methyl-phenoxy)methyl]piperidino]propylamino]pyrimidine-4-carboxylic acid methyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)OC

InChI

InChI=1S/C25H36N4O3/c1-18(2)21-7-6-19(3)16-23(21)32-17-20-9-14-29(15-10-20)13-5-11-26-25-27-12-8-22(28-25)24(30)31-4/h6-8,12,16,18,20H,5,9-11,13-15,17H2,1-4H3,(H,26,27,28)