cycloheptyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cycloheptyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3)O

InChI

InChI=1S/C21H28N2O5/c1-3-27-17-12-14(10-11-16(17)24)19-18(13(2)22-21(26)23-19)20(25)28-15-8-6-4-5-7-9-15/h10-12,15,19,24H,3-9H2,1-2H3,(H2,22,23,26)