phenethyl 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: phenethyl 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: phenethyl 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid phenethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C)C)C(=O)OCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H26N2O5/c1-4-29-19-14-17(10-11-18(19)26)21-20(15(2)25(3)23(28)24-21)22(27)30-13-12-16-8-6-5-7-9-16/h5-11,14,21,26H,4,12-13H2,1-3H3,(H,24,28)