ethyl 2-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(2-tert-butoxycarbonylphenyl)phenyl]methylamino]-2-butyl-pyrimidine-5-carboxylate CAS Name: 2-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]methylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methylamino]pyrimidine-5-carboxylate Traditional Name: 4-[[4-(2-tert-butoxycarbonylphenyl)benzyl]amino]-2-butyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=N1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(C(=N1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C29H35N3O4/c1-6-8-13-25-30-19-24(27(33)35-7-2)26(32-25)31-18-20-14-16-21(17-15-20)22-11-9-10-12-23(22)28(34)36-29(3,4)5/h9-12,14-17,19H,6-8,13,18H2,1-5H3,(H,30,31,32)