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

Systemtic Name: methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(tetradecanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H49N3O4 MolecularWeight: 527.73846

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H49N3O4/c1-5-7-9-10-11-12-13-14-15-16-17-21-27(35)32-26-20-18-19-25(23-26)29-28(30(36)38-4)24(3)34(22-8-6-2)31(37)33-29/h18-20,23,29H,5-17,21-22H2,1-4H3,(H,32,35)(H,33,37)