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

Systemtic Name: hexyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: hexyl (5R,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (5R,6S)-4-methylidene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2OCCC

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=CC=C2OCCC

InChI

InChI=1S/C21H30N2O4/c1-4-6-7-10-14-27-20(24)18-15(3)22-21(25)23-19(18)16-11-8-9-12-17(16)26-13-5-2/h8-9,11-12,18-19H,3-7,10,13-14H2,1-2H3,(H2,22,23,25)/t18-,19+/m0/s1