cyclohexylmethyl 6-ethyl-4-[4-(octylamino)phenyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cyclohexylmethyl 6-ethyl-4-[4-(octylamino)phenyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cyclohexylmethyl 6-ethyl-4-[4-(octylamino)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-ethyl-4-[4-(octylamino)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 6-ethyl-4-[4-(octylamino)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-ethyl-2-keto-4-[4-(octylamino)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cyclohexylmethyl ester Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CC)C(=O)OCC3CCCCC3

Isomeric SMILES

CCCCCCCCNC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CC)C(=O)OCC3CCCCC3

InChI

InChI=1S/C28H43N3O3/c1-3-5-6-7-8-12-19-29-23-17-15-22(16-18-23)26-25(24(4-2)30-28(33)31-26)27(32)34-20-21-13-10-9-11-14-21/h15-18,21,26,29H,3-14,19-20H2,1-2H3,(H2,30,31,33)