propan-2-yl 3-ethyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-ethyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-ethyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-oxo-6-[3-(1-oxooctylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-4-methyl-6-[3-(octanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(caprylylamino)phenyl]-3-ethyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CC)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CC)C)C(=O)OC(C)C

InChI

InChI=1S/C25H37N3O4/c1-6-8-9-10-11-15-21(29)26-20-14-12-13-19(16-20)23-22(24(30)32-17(3)4)18(5)28(7-2)25(31)27-23/h12-14,16-17,23H,6-11,15H2,1-5H3,(H,26,29)(H,27,31)