methyl 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(3-cyanophenoxy)methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)COC4=CC=CC(=C4)C#N

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)COC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H21N3O4/c1-29-22(27)20-19(14-30-18-9-5-6-15(12-18)13-24)26(17-10-11-17)23(28)25-21(20)16-7-3-2-4-8-16/h2-9,12,17,21H,10-11,14H2,1H3,(H,25,28)