6-(2-methylpropyl)-5-oxidanylidene-2-(1-phenylethylimino)-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid

Systemtic Name: 6-(2-methylpropyl)-5-oxidanylidene-2-(1-phenylethylimino)-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Openeye Name: 6-isobutyl-5-oxo-2-(1-phenylethylimino)-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 6-(2-methylpropyl)-5-oxo-2-(1-phenylethylimino)-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid IUPAC Name: 6-(2-methylpropyl)-5-oxo-2-(1-phenylethylimino)-3-(3-phenylpropyl)-1,3-diazinane-1-carboxylic acid Traditional Name: 6-isobutyl-5-keto-2-(1-phenylethylimino)-3-(3-phenylpropyl)hexahydropyrimidine-1-carboxylic acid Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)CN(C(=NC(C)C2=CC=CC=C2)N1C(=O)O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(=O)CN(C(=NC(C)C2=CC=CC=C2)N1C(=O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O3/c1-19(2)17-23-24(30)18-28(16-10-13-21-11-6-4-7-12-21)25(29(23)26(31)32)27-20(3)22-14-8-5-9-15-22/h4-9,11-12,14-15,19-20,23H,10,13,16-18H2,1-3H3,(H,31,32)