ethyl 3-oxidanylidene-2-(phenylmethyl)-3-[(5-phenylpyrimidin-4-yl)amino]propanoate

Systemtic Name: ethyl 3-oxidanylidene-2-(phenylmethyl)-3-[(5-phenylpyrimidin-4-yl)amino]propanoate Openeye Name: ethyl 2-benzyl-3-oxo-3-[(5-phenylpyrimidin-4-yl)amino]propanoate CAS Name: 3-oxo-2-(phenylmethyl)-3-[(5-phenyl-4-pyrimidinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-oxo-3-[(5-phenylpyrimidin-4-yl)amino]propanoate Traditional Name: 2-benzyl-3-keto-3-[(5-phenylpyrimidin-4-yl)amino]propionic acid ethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=NC=NC=C2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=NC=NC=C2C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-2-28-22(27)18(13-16-9-5-3-6-10-16)21(26)25-20-19(14-23-15-24-20)17-11-7-4-8-12-17/h3-12,14-15,18H,2,13H2,1H3,(H,23,24,25,26)