[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate CAS Name: 6-benzamidohexanoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 6-benzamidohexanoate Traditional Name: 6-benzamidohexanoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CCCCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)CCCCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O3/c34-28(14-8-3-9-19-30-29(35)23-12-6-2-7-13-23)36-25-17-15-24(16-18-25)33-27-20-26(31-21-32-27)22-10-4-1-5-11-22/h1-2,4-7,10-13,15-18,20-21H,3,8-9,14,19H2,(H,30,35)(H,31,32,33)