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

Systemtic Name: pentyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: pentyl (4S,5R)-4-(3-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (5R,6S)-4-methylidene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-3-4-8-14-29-23(27)21-17(2)25-24(28)26-22(21)19-12-9-13-20(15-19)30-16-18-10-6-5-7-11-18/h5-7,9-13,15,21-22H,2-4,8,14,16H2,1H3,(H2,25,26,28)/t21-,22+/m0/s1