cycloheptylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cycloheptylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptylmethyl ester IUPAC Name: cycloheptylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-ethyl-4-(3-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptylmethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)OCC3CCCCCC3

Isomeric SMILES

CCC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)OCC3CCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-2-17-18(20(25)27-13-14-8-5-3-4-6-9-14)19(23-21(26)22-17)15-10-7-11-16(24)12-15/h7,10-12,14,19,24H,2-6,8-9,13H2,1H3,(H2,22,23,26)