(4-methylphenyl) 5,5-dimethyl-2-oxidanylidene-6-phenyl-3-(1-phenylethyl)-1,3-diazinane-1-carboxylate

Systemtic Name: (4-methylphenyl) 5,5-dimethyl-2-oxidanylidene-6-phenyl-3-(1-phenylethyl)-1,3-diazinane-1-carboxylate Openeye Name: p-tolyl 5,5-dimethyl-2-oxo-6-phenyl-3-(1-phenylethyl)hexahydropyrimidine-1-carboxylate CAS Name: 5,5-dimethyl-2-oxo-6-phenyl-3-(1-phenylethyl)-1,3-diazinane-1-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 5,5-dimethyl-2-oxo-6-phenyl-3-(1-phenylethyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-keto-5,5-dimethyl-6-phenyl-3-(1-phenylethyl)hexahydropyrimidine-1-carboxylic acid p-tolyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)N2C(C(CN(C2=O)C(C)C3=CC=CC=C3)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)N2C(C(CN(C2=O)C(C)C3=CC=CC=C3)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-20-15-17-24(18-16-20)33-27(32)30-25(23-13-9-6-10-14-23)28(3,4)19-29(26(30)31)21(2)22-11-7-5-8-12-22/h5-18,21,25H,19H2,1-4H3