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

Systemtic Name: propyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: propyl (5R,6S)-4-methylene-2-oxo-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (5R,6S)-4-methylidene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-3-12-26-20(24)18-14(2)22-21(25)23-19(18)15-8-7-11-17(13-15)27-16-9-5-4-6-10-16/h4-11,13,18-19H,2-3,12H2,1H3,(H2,22,23,25)/t18-,19+/m0/s1