methyl 4-[(E)-3-oxidanylidene-3-[4-[(6-phenylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[4-[(6-phenylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[4-[(6-phenylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-[(6-phenyl-4-pyrimidinyl)amino]phenoxy]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[4-[(6-phenylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-[(6-phenylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoic acid methyl ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O4/c1-33-27(32)21-10-7-19(8-11-21)9-16-26(31)34-23-14-12-22(13-15-23)30-25-17-24(28-18-29-25)20-5-3-2-4-6-20/h2-18H,1H3,(H,28,29,30)/b16-9+