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

Systemtic Name: 2-methylpropyl 4-methyl-2-oxidanylidene-6-[3-(3-phenylpropanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-2-oxo-6-[3-(3-phenylpropanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-[(1-oxo-3-phenylpropyl)amino]phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-oxo-6-[3-(3-phenylpropanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(hydrocinnamoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C28H35N3O4/c1-5-16-31-20(4)25(27(33)35-18-19(2)3)26(30-28(31)34)22-12-9-13-23(17-22)29-24(32)15-14-21-10-7-6-8-11-21/h6-13,17,19,26H,5,14-16,18H2,1-4H3,(H,29,32)(H,30,34)