tert-butyl 4-[[5-[4-(4-methylpiperazin-1-yl)carbonylphenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[4-(4-methylpiperazin-1-yl)carbonylphenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-2-pyrimidinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C27H37N5O4/c1-27(2,3)36-26(34)32-11-9-20(10-12-32)19-35-25-28-17-23(18-29-25)21-5-7-22(8-6-21)24(33)31-15-13-30(4)14-16-31/h5-8,17-18,20H,9-16,19H2,1-4H3