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

Systemtic Name: propan-2-yl 3-butyl-4-methyl-2-oxidanylidene-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4/c1-5-6-17-31-20(4)25(27(33)35-19(2)3)26(30-28(31)34)22-13-10-14-23(18-22)29-24(32)16-15-21-11-8-7-9-12-21/h7-16,18-19,26H,5-6,17H2,1-4H3,(H,29,32)(H,30,34)/b16-15+