pentyl (5R,6S)-4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: pentyl (5R,6S)-4-methylidene-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: pentyl (5R,6S)-4-methylene-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (5R,6S)-4-methylidene-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-phenyl-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3/c1-3-4-8-11-22-16(20)14-12(2)18-17(21)19-15(14)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11H2,1H3,(H2,18,19,21)/t14-,15+/m0/s1