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

Systemtic Name: methyl 6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[4-(1-oxohexylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(caproylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-5-7-8-9-18(26)23-17-12-10-16(11-13-17)20-19(21(27)29-4)15(3)25(14-6-2)22(28)24-20/h10-13,20H,5-9,14H2,1-4H3,(H,23,26)(H,24,28)