[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C29H29N3O4/c1-3-5-17-35-26-16-11-22(18-27(26)34-4-2)29(33)36-24-14-12-23(13-15-24)32-28-19-25(30-20-31-28)21-9-7-6-8-10-21/h6-16,18-20H,3-5,17H2,1-2H3,(H,30,31,32)