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

Systemtic Name: pentyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: pentyl (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 pentyl ester IUPAC Name: pentyl (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 amyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-4-6-9-13-26-19(23)17-14(3)21-20(24)22-18(17)15-10-7-8-11-16(15)25-12-5-2/h7-8,10-11,17-18H,3-6,9,12-13H2,1-2H3,(H2,21,22,24)/t17-,18+/m0/s1