[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H19N3O2 MolecularWeight: 417.45866

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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)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H19N3O2/c31-27(24-12-6-10-19-7-4-5-11-23(19)24)32-22-15-13-21(14-16-22)30-26-17-25(28-18-29-26)20-8-2-1-3-9-20/h1-18H,(H,28,29,30)