methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-[[(E)-3-phenylacryloyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C26H29N3O4/c1-4-5-16-29-18(2)23(25(31)33-3)24(28-26(29)32)20-12-9-13-21(17-20)27-22(30)15-14-19-10-7-6-8-11-19/h6-15,17,24H,4-5,16H2,1-3H3,(H,27,30)(H,28,32)/b15-14+