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

Systemtic Name: propan-2-yl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(tetradecanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-4-methyl-2-oxo-6-[3-(tetradecanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxotetradecylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-4-methyl-2-oxo-6-[3-(tetradecanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-(tetradecanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C33H53N3O4 MolecularWeight: 555.79162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53N3O4/c1-6-8-10-11-12-13-14-15-16-17-18-22-29(37)34-28-21-19-20-27(24-28)31-30(32(38)40-25(3)4)26(5)36(23-9-7-2)33(39)35-31/h19-21,24-25,31H,6-18,22-23H2,1-5H3,(H,34,37)(H,35,39)