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

Systemtic Name: methyl 4-[(E)-3-[4-[(6-methylpyrimidin-4-yl)amino]phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-[(6-methylpyrimidin-4-yl)amino]phenoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-[(6-methyl-4-pyrimidinyl)amino]phenoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-[(6-methylpyrimidin-4-yl)amino]phenoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-[(6-methylpyrimidin-4-yl)amino]phenoxy]prop-1-enyl]benzoic acid methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H19N3O4/c1-15-13-20(24-14-23-15)25-18-8-10-19(11-9-18)29-21(26)12-5-16-3-6-17(7-4-16)22(27)28-2/h3-14H,1-2H3,(H,23,24,25)/b12-5+