tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(3-phenylpropylamino)pyrimidin-5-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(3-phenylpropylamino)pyrimidin-5-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[2-indolin-1-yl-4-(3-phenylpropylamino)pyrimidine-5-carbonyl]amino]acetate CAS Name: 2-[[[2-(2,3-dihydroindol-1-yl)-4-(3-phenylpropylamino)-5-pyrimidinyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2,3-dihydroindol-1-yl)-4-(3-phenylpropylamino)pyrimidine-5-carbonyl]amino]acetate Traditional Name: 2-[[2-indolin-1-yl-4-(3-phenylpropylamino)pyrimidine-5-carbonyl]amino]acetic acid tert-butyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C1=CN=C(N=C1NCCCC2=CC=CC=C2)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CN=C(N=C1NCCCC2=CC=CC=C2)N3CCC4=CC=CC=C43

InChI

InChI=1S/C28H33N5O3/c1-28(2,3)36-24(34)19-30-26(35)22-18-31-27(33-17-15-21-13-7-8-14-23(21)33)32-25(22)29-16-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-14,18H,9,12,15-17,19H2,1-3H3,(H,30,35)(H,29,31,32)